NaturalProductMech

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mycophenolic acid

CHEBI:168396 EXACT SEEDED antiviralcytotoxic

What these status tags mean

Curation status describes a workflow state. SEEDED means the record entered through the source-seeding workflow; it does not imply that no later curation occurred. PROPOSED marks an addition awaiting review; REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record. These are workflow decisions, not independently verified human review. Agent-assisted contributions may appear in the record history.

Grounding describes the identifier mapping: EXACT uses an ontology identity asserted by the source; MINTED keeps a local identifier when no defensible ontology identity is available; REVIEW_NEEDED flags an exact structure whose ontology identity needs adjudication. The grounding note retains any unresolved alternatives. These tags do not establish the strength of producer or activity evidence.

A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.

Structure

Standard InChIKeyHPNSFSBZBAHARI-RUDMXATFSA-N
SMILESCOC1=C(C\C=C(/C)CCC(O)=O)C(O)=C2C(=O)OCC2=C1C
Stereochemistryfully defined
Cross-referencesnpatlas:NPA015757, pubchem:446541, chembl:CHEMBL866

Filing pathway

Polyketides — computed by NPClassifier npclassifier.gnps2.org@2026-09-07, which is why it is pinned rather than recomputed. The gene cluster's asserted class is pks, from MIBiG.

Producer organisms 4

A claim that this taxon makes the compound. The basis says what the evidence addressed — a knockout and a database assertion are not the same claim.

TaxonBasisClusterEvidence
Penicillium brevicompactum
NCBITaxon:5074		 BGC_CHARACTERIZED mibig:BGC0000104 DOI:10.1128/aem.03015-10
Penicillium roqueforti
NCBITaxon:5082		 BGC_CORRELATED mibig:BGC0002616 PMID:27889155
Penicillium brevicompactum
NCBITaxon:5074		 BGC_CORRELATED mibig:BGC0002619 DOI:10.1128/aem.41.3.729-736.1981
Penicillium roqueforti
NCBITaxon:5082		 SOURCE_ASSERTION mibig:BGC0001677 PMID:27889155

Occurrences 7

Somebody found the compound in this organism and cited it. That is not a claim that the organism makes it, and nothing here promotes one to the other.

TaxonSourceReference
Aspergillus
NCBITaxon:5052		 LOTUS DOI:10.1042/BJ0500630
Penicillium
NCBITaxon:5073		 LOTUS DOI:10.1016/J.BMCL.2012.02.106
Penicillium griseofulvum
NCBITaxon:5078		 LOTUS DOI:10.1021/OL060107C
Penicillium echinulatum
NCBITaxon:60174		 LOTUS DOI:10.1016/S0007-1536(88)80040-8
Penicillium parvum
NCBITaxon:70113		 LOTUS DOI:10.1021/NP8003497
Penicillium brevicompactum
NCBITaxon:5074		 LOTUS DOI:10.1128/AEM.03015-10
Penicillium roqueforti
NCBITaxon:5082		 LOTUS DOI:10.1016/J.FM.2016.10.013

Biosynthetic gene clusters 4

AccessionHostLocus evidenceGenome
mibig:BGC0000104 Penicillium brevicompactum
NCBITaxon:5074 		CLUSTER_DEMONSTRATED genbank:HQ731031.1
mibig:BGC0002616 Penicillium roqueforti
NCBITaxon:5082 		CLUSTER_CORRELATED genbank:KU234531.1
mibig:BGC0002619 Penicillium brevicompactum
NCBITaxon:5074 		CLUSTER_CORRELATED genbank:KM595305.1
mibig:BGC0001677 Penicillium roqueforti
NCBITaxon:5082 		CLUSTER_UNSTATED genbank:KU234530.1

A locus claim and a taxon claim are different questions. Heterologous expression settles the first and leaves the second where the isolation report left it.

Mechanism & Biosynthesis Overview

PRODUCERS & OCCURRENCE 4 producers (1 causal) 7 cited occurrences BIOSYNTHETIC LOCUS 4 gene clusters 0 curated pathway steps NATURAL PRODUCT mycophenolic acid CHEBI:168396 Polyketides TARGETS & BIOACTIVITY 0 molecular targets 25 bioactivities · 7 graphs

Causal graph — bioactivity 4 nodes, 3 edges

Mycophenolic acid inhibits human and Chinese hamster inosine-5'-monophosphate dehydrogenase isoforms.

SubjectPredicateObjectNotesEvidence
mycophenolic acid inhibits human inosine-5'-monophosphate dehydrogenase 1 BindingDB-deposited PubChem BioAssay AID 1797840 maps this exact Standard InChIKey to an active 0.033 uM Ki measurement against human IMPDH type 1; P20839 resolves in UniProtKB to the human IMPDH1 gene product.
DOI:10.1021/jm070568j
  • reference
    DOI:10.1021/jm070568j
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1
    notes
    PubChem BioAssay AID 1797840 was deposited by BindingDB for PMID 17958343 and reports a mycophenolic-acid Ki value against P20839.
mycophenolic acid inhibits human inosine-5'-monophosphate dehydrogenase 2 BindingDB-deposited PubChem BioAssay AIDs 1797841, 1797842 and 1803439 map this exact Standard InChIKey to active 0.007 uM Ki, 0.016 uM IC50 and 0.13 uM IC50 measurements against human IMPDH2; P12268 resolves in UniProtKB to the human IMPDH2 gene product.
DOI:10.1021/jm070568j
DOI:10.1021/jm070299x
DOI:10.3109/14756366.2013.793184
  • reference
    DOI:10.1021/jm070568j
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 2
    notes
    PubChem BioAssay AID 1797841 was deposited by BindingDB for PMID 17958343 and reports a mycophenolic-acid Ki value against P12268.
  • reference
    DOI:10.1021/jm070299x
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    Inhibition assays were performed using recombinant human IMPDH type 2
    notes
    PubChem BioAssay AID 1797842 was deposited by BindingDB for PMID 17585753 and reports a mycophenolic-acid IC50 value against P12268.
  • reference
    DOI:10.3109/14756366.2013.793184
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    Mycophenolic acid (10 μM) used as a positive control and DMSO as a vehicle control.
    notes
    PubChem BioAssay AID 1803439 was deposited by BindingDB for PMID 23663081 and reports a mycophenolic-acid IC50 value against P12268.
mycophenolic acid inhibits Chinese hamster inosine-5'-monophosphate dehydrogenase 2 PubChem BioAssay AID 977610 maps this exact Standard InChIKey to an active 0.006 uM Ki row for PDB 1JR1 chain A; RCSB identifies 1JR1 as Chinese hamster IMPDH2 in complex with MOA mycophenolic acid and maps entity 1 to UniProtKB:P12269.
DOI:10.1016/S0092-8674(00)81275-1
DOI:10.2210/pdb1jr1/pdb
  • reference
    DOI:10.1016/S0092-8674(00)81275-1
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    Structure and mechanism of inosine monophosphate dehydrogenase in complex with the immunosuppressant mycophenolic acid.
    notes
    Sintchak et al. solved the Chinese hamster IMPDH2-MPA structure deposited as PDB 1JR1 and combined it with kinetic and mutagenesis evidence for mycophenolic acid inhibition.
  • reference
    DOI:10.2210/pdb1jr1/pdb
    evidence type
    DATABASE_ASSERTION
    notes
    RCSB PDB identifies 1JR1 as an IMPDH2 crystal structure with MOA mycophenolic acid ligands and maps entity 1 to the Cricetulus griseus IMPDH2 sequence in UniProtKB:P12269.

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Causal graph — biosynthesis 3 nodes, 2 edges

Penicillium brevicompactum MpaG'-catalyzed O-methylation in mycophenolic acid biosynthesis.

SubjectPredicateObjectNotesEvidence
demethylmycophenolic acid is O-methylated by MpaG' O-methyltransferase Zhang et al. assayed MpaG' against demethylmycophenolic acid from the same Penicillium brevicompactum NRRL 864 mpa' cluster carried by BGC0002619. MITE maps this terminal O-methylation to RHEA:81843, and UniProt now annotates that reaction on A0A0B5L781, but the local ChEBI inventory has mycophenolate and not CHEBI:231832 for 6-O-desmethylmycophenolate, so the substrate remains ungrounded.
DOI:10.1002/cbic.201402600
DOI:10.1002/pro.5144
https://www.uniprot.org/uniprotkb/A0A0B5L781
https://www.ncbi.nlm.nih.gov/nuccore/KM595305.1
https://mibig.secondarymetabolites.org/repository/BGC0002619.2/BGC0002619.gbk
  • reference
    DOI:10.1002/cbic.201402600
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    MpaG' catalyzes the methylation of demethylmycophenolic acid (DMMPA, 6) to form 1.
    notes
    Zhang et al. identified the Penicillium brevicompactum NRRL 864 mpa' cluster and functionally and kinetically characterized its SAM-dependent MpaG' O-methyltransferase in vitro against demethylmycophenolic acid.
  • reference
    DOI:10.1002/pro.5144
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    MpaG' catalyzes the 5-O-methylation of three precursors in MPA biosynthesis including demethylmycophenolic acid (DMMPA), 4-farnesyl-3,5-dihydroxy-6-methylphthalide (FDHMP), and an intermediate containing three fewer carbon atoms compared to FDHMP (FDHMP-3C) with different catalytic efficiencies.
    notes
    You et al. solved substrate-bound MpaG' crystal structures and confirmed DMMPA, FDHMP and FDHMP-3C activity with the same Penicillium brevicompactum NRRL 864 enzyme.
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5L781
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-01
    notes
    UniProtKB:A0A0B5L781 is the reviewed 398 aa Penicillium brevicompactum MpaG' entry, cross-links KM595305/AJG44384.1, and annotates RHEA:81843 for 6-O-desmethylmycophenolate O-methylation to mycophenolate.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/KM595305.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-01
    notes
    GenBank KM595305.1 is the Penicillium brevicompactum NRRL 864 mpa' cluster reported by Zhang et al. and encodes MpaG' as protein AJG44384.1.
  • reference
    https://mibig.secondarymetabolites.org/repository/BGC0002619.2/BGC0002619.gbk
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-01
    notes
    MIBiG BGC0002619.2 places AJG44384.1 in the active KM595305.1 mycophenolic acid biosynthetic gene cluster as MpaG' with a MITE0000011 99% identity methylation annotation.
MpaG' O-methyltransferase forms mycophenolic acid MpaG' can methylate three mycophenolic acid precursors; the direct demethylmycophenolic acid reaction forms mycophenolic acid and is represented here as the terminal product-forming branch without asserting that this branch is the sole physiological route through the compartmentalized pathway.
DOI:10.1002/cbic.201402600
DOI:10.1002/pro.5144
https://www.uniprot.org/uniprotkb/A0A0B5L781
https://www.ncbi.nlm.nih.gov/nuccore/KM595305.1
https://mibig.secondarymetabolites.org/repository/BGC0002619.2/BGC0002619.gbk
  • reference
    DOI:10.1002/cbic.201402600
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    MpaG' catalyzes the methylation of demethylmycophenolic acid (DMMPA, 6) to form 1.
    notes
    Zhang et al. identified the Penicillium brevicompactum NRRL 864 mpa' cluster and functionally and kinetically characterized its SAM-dependent MpaG' O-methyltransferase in vitro against demethylmycophenolic acid.
  • reference
    DOI:10.1002/pro.5144
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    MpaG' catalyzes the 5-O-methylation of three precursors in MPA biosynthesis including demethylmycophenolic acid (DMMPA), 4-farnesyl-3,5-dihydroxy-6-methylphthalide (FDHMP), and an intermediate containing three fewer carbon atoms compared to FDHMP (FDHMP-3C) with different catalytic efficiencies.
    notes
    You et al. solved substrate-bound MpaG' crystal structures and confirmed DMMPA, FDHMP and FDHMP-3C activity with the same Penicillium brevicompactum NRRL 864 enzyme.
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5L781
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-01
    notes
    UniProtKB:A0A0B5L781 is the reviewed 398 aa Penicillium brevicompactum MpaG' entry, cross-links KM595305/AJG44384.1, and annotates RHEA:81843 for 6-O-desmethylmycophenolate O-methylation to mycophenolate.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/KM595305.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-01
    notes
    GenBank KM595305.1 is the Penicillium brevicompactum NRRL 864 mpa' cluster reported by Zhang et al. and encodes MpaG' as protein AJG44384.1.
  • reference
    https://mibig.secondarymetabolites.org/repository/BGC0002619.2/BGC0002619.gbk
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-01
    notes
    MIBiG BGC0002619.2 places AJG44384.1 in the active KM595305.1 mycophenolic acid biosynthetic gene cluster as MpaG' with a MITE0000011 99% identity methylation annotation.

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Causal graph — biosynthesis 4 nodes, 3 edges

By-similarity MpaG O-methylation context for the native Penicillium brevicompactum IBT23078 reference. This F1DBB3 protein differs from the existing NRRL864 MpaG' protein at three residues and is not a second independently assayed enzyme. MITE supplies an exact neutral-product example; UniProt explicitly transfers the corresponding reaction by similarity. Existing graphs, source grades and discussions are preserved; not full-record sign-off.

SubjectPredicateObjectNotesEvidence
MpaG native IBT23078 reference is_by_similarity_predicted_catalyst_of MpaG O-methylation inferred by similarity Function is inferred by similarity, not verified by native sequence translation. The latter establishes reference identity only. No primary experiment, activity magnitude, site, mutant, localization, cofactor state or physical complex is adopted for this protein.
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000011.json
https://www.uniprot.org/uniprotkb/F1DBB3
https://www.ncbi.nlm.nih.gov/protein/ADY00134.1
https://www.ncbi.nlm.nih.gov/nuccore/HQ731031.1
https://www.uniprot.org/uniprotkb/A0A0B5L781
https://www.ncbi.nlm.nih.gov/protein/AJG44384.1
https://www.ncbi.nlm.nih.gov/nuccore/KM595305.1
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000011.json
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-07
    notes
    MITE0000011 version 3, active, links MpaG F1DBB3/ADY00134.1 and BGC0000104 to the demethylmycophenolic acid O-methylation example. Its heterologous-expression code is a database assertion, not independently inspected evidence for this IBT23078 reference. No assay is transferred from MpaG'.
    snippet
    Catalyzes the O-methylation of demethylmycophenolic acid into mycophenolic acid
  • reference
    https://www.uniprot.org/uniprotkb/F1DBB3
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-07
    notes
    Reviewed entry 53, sequence 1, 398 residues, mpaG, Penicillium brevicompactum/taxon5074. RHEA:81843 is explicitly ECO:0000250 by similarity to A0A0B5L781; FUNCTION qualifies the DMMPA-to-MPA conversion as Probable. This graph retains that inferential status. Other experiment-coded annotations citing PMID:25630520 are not used to transfer MpaG' activity, kinetics or mutant findings to IBT23078.
  • reference
    https://www.ncbi.nlm.nih.gov/protein/ADY00134.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-07
    notes
    Full independent GenPept record and coded_by inspected: putative O-methyltransferase mpaG, P.brevicompactum strain IBT 23078/taxon5074, 398 residues. Genomic reference identity does not establish assay-stock or expression-construct identity.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/HQ731031.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-07
    notes
    Complete 1197-nt, two-exon, negative-strand CDS: complement(join(28274..29302,29355..29522)), default table1/codon1. Full translation equals CDS annotation, independent ADY00134.1 and current F1DBB3, all398aa; independent coded_by coordinates and DNA match.
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5L781
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-07
    notes
    Comparative identity only: the existing NRRL864 reference is also398aa but differs at positions 84(S/N),295(N/H),342(S/R), written IBT23078/NRRL864. It is not an accession alias. No experiment on this protein is treated as an experiment on F1DBB3.
  • reference
    https://www.ncbi.nlm.nih.gov/protein/AJG44384.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-07
    notes
    Independent comparative GenPept reference names P.brevicompactum NRRL864/taxon5074 and codes for the398aa MpaG' sequence, not the IBT23078 sequence.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/KM595305.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-07
    notes
    Separate comparative NRRL864 reference: full1197-nt CDS complement(join(31200..32228,32281..32448)), default table1/codon1, translates exactly to its CDS annotation, AJG44384.1 and A0A0B5L781. Independent coded_by coordinates/DNA match. There are30coding-DNA differences from the IBT23078 CDS; reference deposits do not authenticate historical assay stocks.
Demethylmycophenolic acid, database example is_database_example_substrate_of MpaG O-methylation inferred by similarity MITE names and encodes a neutral demethylmycophenolic acid example. The substrate remains ungrounded: the UniProt reaction's ionic 6-O-desmethylmycophenolate identifier is not silently assigned to the neutral compound. No upstream steps or preferred physiological route inferred.
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000011.json
https://www.uniprot.org/uniprotkb/F1DBB3
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000011.json
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-07
    notes
    MITE0000011 version 3, active, links MpaG F1DBB3/ADY00134.1 and BGC0000104 to the demethylmycophenolic acid O-methylation example. Its heterologous-expression code is a database assertion, not independently inspected evidence for this IBT23078 reference. No assay is transferred from MpaG'.
  • reference
    https://www.uniprot.org/uniprotkb/F1DBB3
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-07
    notes
    Reviewed entry 53, sequence 1, 398 residues, mpaG, Penicillium brevicompactum/taxon5074. RHEA:81843 is explicitly ECO:0000250 by similarity to A0A0B5L781; FUNCTION qualifies the DMMPA-to-MPA conversion as Probable. This graph retains that inferential status. Other experiment-coded annotations citing PMID:25630520 are not used to transfer MpaG' activity, kinetics or mutant findings to IBT23078.
MpaG O-methylation inferred by similarity has_database_example_product mycophenolic acid Pinned MITE neutral product matches the owner's full InChIKey HPNSFSBZBAHARI-RUDMXATFSA-N and complete stereo via the repository helper and RDKit2026.03.5. UniProt's ionic mycophenolate is not relabelled as the neutral acid. No pathway finality or assay transfer is asserted. The different-structure same-label BGC0001360 record is not included; all source grades and old graphs remain unchanged, including the AntibioticMech link.
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000011.json
https://www.uniprot.org/uniprotkb/F1DBB3
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000011.json
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-07
    notes
    MITE0000011 version 3, active, links MpaG F1DBB3/ADY00134.1 and BGC0000104 to the demethylmycophenolic acid O-methylation example. Its heterologous-expression code is a database assertion, not independently inspected evidence for this IBT23078 reference. No assay is transferred from MpaG'.
  • reference
    https://www.uniprot.org/uniprotkb/F1DBB3
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-07
    notes
    Reviewed entry 53, sequence 1, 398 residues, mpaG, Penicillium brevicompactum/taxon5074. RHEA:81843 is explicitly ECO:0000250 by similarity to A0A0B5L781; FUNCTION qualifies the DMMPA-to-MPA conversion as Probable. This graph retains that inferential status. Other experiment-coded annotations citing PMID:25630520 are not used to transfer MpaG' activity, kinetics or mutant findings to IBT23078.

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Causal graph — biosynthesis 14 nodes, 14 edges

Penicillium brevicompactum NRRL864. Database-annotated partial biosynthesis, not a new primary-experiment assessment. Reference-CDS identity does not authenticate assay stocks, constructs, localization or reaction rates. Intermediates remain ungrounded; ionic reaction participants are not relabelled as neutral CHEBI:168396. No missing side-chain-processing steps, preferred methylation order or complete physiological route are inferred. MpaF resistance proteins are excluded, and existing MpaG graphs and AntibioticMech content remain unchanged. MpaH' is withheld because canonical433aa conflicts with the deposited398aa gene model.

SubjectPredicateObjectNotesEvidence
MpaC' (NRRL864 reference) is_database_annotated_catalyst_of 5-Methylorsellinate synthesis Database reaction uses acetyl-CoA, three malonyl-CoA and SAM; it is not an assertion of a free precursor pool or a new assay.
https://www.uniprot.org/uniprotkb/A0A0B5KU17
https://www.ncbi.nlm.nih.gov/protein/AJG44381.1
https://www.ncbi.nlm.nih.gov/nuccore/KM595305.1
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5KU17
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Reviewed mpaC', taxon5074; entry46, sequence1, annotation2026-09-02. CATALYTIC ACTIVITY assigns RHEA:63056; provenance: ECO:0000269 PubMed:31209052. These are database evidence codes, not independently inspected primary assays in this curation.
    snippet
    3 malonyl-CoA + acetyl-CoA + S-adenosyl-L-methionine + H(+) = 5-methylorsellinate + S-adenosyl-L-homocysteine + 3 CO2 + 4 CoA
  • reference
    https://www.ncbi.nlm.nih.gov/protein/AJG44381.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Native reference identity only: Penicillium brevicompactum NRRL864, taxon5074, AJG44381.1, 2190 residues. No experimental stock or engineered construct is identified.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/KM595305.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-12
    notes
    Complete 6573-nt/8-exon CDS; complement(join(KM595305.1:14460..15385, KM595305.1:15460..15697,KM595305.1:16433..18732, KM595305.1:18793..19396,KM595305.1:19502..19896, KM595305.1:19962..20337,KM595305.1:20407..21507, KM595305.1:21582..22214)). Table1/codon1 translation equals the CDS annotation, GenPept and all 2190 UniProt residues. Independent GenPept coded_by extraction gives identical DNA.
5-Methylorsellinate synthesis has_database_reaction_product 5-Methylorsellinate
https://www.uniprot.org/uniprotkb/A0A0B5KU17
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5KU17
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:63056; provenance: ECO:0000269 PubMed:31209052.
MpaDE' (NRRL864 reference) is_database_annotated_catalyst_of 5-Methylorsellinate hydroxylation One fused protein has two database-annotated activities; no separate MpaD or MpaE protein is added.
https://www.uniprot.org/uniprotkb/A0A0B5KYT4
https://www.ncbi.nlm.nih.gov/protein/AJG44382.1
https://www.ncbi.nlm.nih.gov/nuccore/KM595305.1
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5KYT4
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Reviewed mpaDE', taxon5074; entry38, sequence1, annotation2026-01-28. CATALYTIC ACTIVITY assigns RHEA:66668; provenance: ECO:0000269 PubMed:31209052. These are database evidence codes, not independently inspected primary assays in this curation.
    snippet
    Cytochrome P450 monooxygenase mpaDE'
  • reference
    https://www.ncbi.nlm.nih.gov/protein/AJG44382.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Native reference identity only: Penicillium brevicompactum NRRL864, taxon5074, AJG44382.1, 853 residues. No experimental stock or engineered construct is identified.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/KM595305.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-12
    notes
    Complete 2562-nt/7-exon CDS; join(KM595305.1:25534..25821, KM595305.1:25895..26263,KM595305.1:26322..26536, KM595305.1:26600..27050,KM595305.1:27105..27194, KM595305.1:27245..27435,KM595305.1:27485..28442). Table1/codon1 translation equals the CDS annotation, GenPept and all 853 UniProt residues. Independent GenPept coded_by extraction gives identical DNA.
5-Methylorsellinate is_substrate_in_database_reaction 5-Methylorsellinate hydroxylation
https://www.uniprot.org/uniprotkb/A0A0B5KYT4
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5KYT4
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66668; provenance: ECO:0000269 PubMed:31209052.
5-Methylorsellinate hydroxylation has_database_reaction_product DHMB carboxylate intermediate
https://www.uniprot.org/uniprotkb/A0A0B5KYT4
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5KYT4
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66668; provenance: ECO:0000269 PubMed:31209052.
MpaDE' (NRRL864 reference) is_database_annotated_catalyst_of DHMB lactonization One fused protein has two database-annotated activities; no separate MpaD or MpaE protein is added.
https://www.uniprot.org/uniprotkb/A0A0B5KYT4
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5KYT4
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66672; provenance: ECO:0000269 PubMed:31209052.
DHMB carboxylate intermediate is_substrate_in_database_reaction DHMB lactonization
https://www.uniprot.org/uniprotkb/A0A0B5KYT4
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5KYT4
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66672; provenance: ECO:0000269 PubMed:31209052.
DHMB lactonization has_database_reaction_product 5,7-Dihydroxy-4-methylphthalide (DHMP)
https://www.uniprot.org/uniprotkb/A0A0B5KYT4
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5KYT4
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66672; provenance: ECO:0000269 PubMed:31209052.
MpaA' (NRRL864 reference) is_database_annotated_catalyst_of DHMP farnesylation
https://www.uniprot.org/uniprotkb/A0A0B5L778
https://www.ncbi.nlm.nih.gov/protein/AJG44379.1
https://www.ncbi.nlm.nih.gov/nuccore/KM595305.1
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5L778
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Reviewed mpaA', taxon5074; entry27, sequence1, annotation2026-09-02. CATALYTIC ACTIVITY assigns RHEA:66676; provenance: ECO:0000269 PubMed:31209052. These are database evidence codes, not independently inspected primary assays in this curation.
    snippet
    5,7-dihydroxy-4-methylphthalide + (2E,6E)-farnesyl diphosphate = 4-farnesyl-3,5-dihydroxy-6-methylphthalide + diphosphate
  • reference
    https://www.ncbi.nlm.nih.gov/protein/AJG44379.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Native reference identity only: Penicillium brevicompactum NRRL864, taxon5074, AJG44379.1, 331 residues. No experimental stock or engineered construct is identified.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/KM595305.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-12
    notes
    Complete 996-nt/3-exon CDS; complement(join(KM595305.1:9939..10533, KM595305.1:10607..10901,KM595305.1:10972..11077)). Table1/codon1 translation equals the CDS annotation, GenPept and all 331 UniProt residues. Independent GenPept coded_by extraction gives identical DNA.
5,7-Dihydroxy-4-methylphthalide (DHMP) is_substrate_in_database_reaction DHMP farnesylation
https://www.uniprot.org/uniprotkb/A0A0B5L778
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5L778
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66676; provenance: ECO:0000269 PubMed:31209052.
DHMP farnesylation has_database_reaction_product 4-Farnesyl-3,5-dihydroxy-6-methylphthalide (FDHMP)
https://www.uniprot.org/uniprotkb/A0A0B5L778
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5L778
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66676; provenance: ECO:0000269 PubMed:31209052.
MpaB' (NRRL864 reference) is_database_annotated_catalyst_of FDHMP side-chain cleavage
https://www.uniprot.org/uniprotkb/A0A0B5LB52
https://www.ncbi.nlm.nih.gov/protein/AJG44380.1
https://www.ncbi.nlm.nih.gov/nuccore/KM595305.1
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5LB52
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Reviewed mpaB', taxon5074; entry23, sequence1, annotation2026-01-28. CATALYTIC ACTIVITY assigns RHEA:66688; provenance: ECO:0000269 PubMed:31209052. These are database evidence codes, not independently inspected primary assays in this curation.
    snippet
    ER-bound oxygenase mpaB'
  • reference
    https://www.ncbi.nlm.nih.gov/protein/AJG44380.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Native reference identity only: Penicillium brevicompactum NRRL864, taxon5074, AJG44380.1, 423 residues. No experimental stock or engineered construct is identified.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/KM595305.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-12
    notes
    Complete 1272-nt/3-exon CDS; join(KM595305.1:12565..12849, KM595305.1:12948..13534,KM595305.1:13608..14007). Table1/codon1 translation equals the CDS annotation, GenPept and all 423 UniProt residues. Independent GenPept coded_by extraction gives identical DNA.
4-Farnesyl-3,5-dihydroxy-6-methylphthalide (FDHMP) is_substrate_in_database_reaction FDHMP side-chain cleavage
https://www.uniprot.org/uniprotkb/A0A0B5LB52
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5LB52
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66688; provenance: ECO:0000269 PubMed:31209052.
FDHMP side-chain cleavage has_database_reaction_product FDHMP-3C carboxylate intermediate
https://www.uniprot.org/uniprotkb/A0A0B5LB52
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5LB52
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66688; provenance: ECO:0000269 PubMed:31209052.

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Causal graph — biosynthesis 18 nodes, 17 edges

Penicillium brevicompactum IBT23078. Database-annotated partial biosynthesis, not a new primary-experiment assessment. Reference-CDS identity does not authenticate assay stocks, constructs, localization or reaction rates. Intermediates remain ungrounded; ionic reaction participants are not relabelled as neutral CHEBI:168396. No missing side-chain-processing steps, preferred methylation order or complete physiological route are inferred. MpaF resistance proteins are excluded, and existing MpaG graphs and AntibioticMech content remain unchanged. MpaB function is by similarity; MpaH hydrolysis is curator-inferred. These statuses apply to their substrate/product edges too.

SubjectPredicateObjectNotesEvidence
MpaC (IBT23078 reference) is_database_annotated_catalyst_of 5-Methylorsellinate synthesis Database reaction uses acetyl-CoA, three malonyl-CoA and SAM; it is not an assertion of a free precursor pool or a new assay.
https://www.uniprot.org/uniprotkb/F1DBA9
https://www.ncbi.nlm.nih.gov/protein/ADY00130.1
https://www.ncbi.nlm.nih.gov/nuccore/HQ731031.1
  • reference
    https://www.uniprot.org/uniprotkb/F1DBA9
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Reviewed mpaC, taxon5074; entry58, sequence1, annotation2026-09-02. CATALYTIC ACTIVITY assigns RHEA:63056; provenance: ECO:0000269 PubMed:21398493. These are database evidence codes, not independently inspected primary assays in this curation.
    snippet
    3 malonyl-CoA + acetyl-CoA + S-adenosyl-L-methionine + H(+) = 5-methylorsellinate + S-adenosyl-L-homocysteine + 3 CO2 + 4 CoA
  • reference
    https://www.ncbi.nlm.nih.gov/protein/ADY00130.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Native reference identity only: Penicillium brevicompactum IBT 23078, taxon5074, ADY00130.1, 2448 residues. No experimental stock or engineered construct is identified.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/HQ731031.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-12
    notes
    Complete 7347-nt/5-exon CDS; complement(join(HQ731031.1:11535..12460, HQ731031.1:12535..16971,HQ731031.1:17037..17412, HQ731031.1:17471..18503,HQ731031.1:18705..19279)). Table1/codon1 translation equals the CDS annotation, GenPept and all 2448 UniProt residues. Independent GenPept coded_by extraction gives identical DNA.
5-Methylorsellinate synthesis has_database_reaction_product 5-Methylorsellinate
https://www.uniprot.org/uniprotkb/F1DBA9
  • reference
    https://www.uniprot.org/uniprotkb/F1DBA9
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:63056; provenance: ECO:0000269 PubMed:21398493.
MpaDE (IBT23078 reference) is_database_annotated_catalyst_of 5-Methylorsellinate hydroxylation One fused protein has two database-annotated activities; no separate MpaD or MpaE protein is added.
https://www.uniprot.org/uniprotkb/I7LRH3
https://www.ncbi.nlm.nih.gov/protein/DAA35181.1
https://www.ncbi.nlm.nih.gov/nuccore/BK008023.1
  • reference
    https://www.uniprot.org/uniprotkb/I7LRH3
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Reviewed mpaDE, taxon5074; entry42, sequence1, annotation2026-09-02. CATALYTIC ACTIVITY assigns RHEA:66668; provenance: ECO:0000269 PubMed:22544261. These are database evidence codes, not independently inspected primary assays in this curation.
    snippet
    Cytochrome P450 monooxygenase mpaDE
  • reference
    https://www.ncbi.nlm.nih.gov/protein/DAA35181.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Native reference identity only: Penicillium brevicompactum IBT23078, taxon5074, DAA35181.1, 853 residues. No experimental stock or engineered construct is identified.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/BK008023.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-12
    notes
    Complete 2562-nt/7-exon CDS; join(BK008023.1:1..288,BK008023.1:362..730, BK008023.1:789..1003,BK008023.1:1067..1517, BK008023.1:1572..1661,BK008023.1:1712..1902, BK008023.1:1953..2910). Table1/codon1 translation equals the CDS annotation, GenPept and all 853 UniProt residues. Independent GenPept coded_by extraction gives identical DNA. TPA_exp BK008023.1 exactly matches HQ731031.1:22615..25524. DAA35181.1 is the corrected 853-aa fusion; ADY00131.1/ADY00132.1 are erroneous split models, not two added enzymes.
5-Methylorsellinate is_substrate_in_database_reaction 5-Methylorsellinate hydroxylation
https://www.uniprot.org/uniprotkb/I7LRH3
  • reference
    https://www.uniprot.org/uniprotkb/I7LRH3
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66668; provenance: ECO:0000269 PubMed:22544261.
5-Methylorsellinate hydroxylation has_database_reaction_product DHMB carboxylate intermediate
https://www.uniprot.org/uniprotkb/I7LRH3
  • reference
    https://www.uniprot.org/uniprotkb/I7LRH3
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66668; provenance: ECO:0000269 PubMed:22544261.
MpaDE (IBT23078 reference) is_database_annotated_catalyst_of DHMB lactonization One fused protein has two database-annotated activities; no separate MpaD or MpaE protein is added.
https://www.uniprot.org/uniprotkb/I7LRH3
  • reference
    https://www.uniprot.org/uniprotkb/I7LRH3
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66672; provenance: ECO:0000269 PubMed:22544261.
DHMB carboxylate intermediate is_substrate_in_database_reaction DHMB lactonization
https://www.uniprot.org/uniprotkb/I7LRH3
  • reference
    https://www.uniprot.org/uniprotkb/I7LRH3
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66672; provenance: ECO:0000269 PubMed:22544261.
DHMB lactonization has_database_reaction_product 5,7-Dihydroxy-4-methylphthalide (DHMP)
https://www.uniprot.org/uniprotkb/I7LRH3
  • reference
    https://www.uniprot.org/uniprotkb/I7LRH3
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66672; provenance: ECO:0000269 PubMed:22544261.
MpaA (IBT23078 reference) is_database_annotated_catalyst_of DHMP farnesylation
https://www.uniprot.org/uniprotkb/F1DBA7
https://www.ncbi.nlm.nih.gov/protein/ADY00128.1
https://www.ncbi.nlm.nih.gov/nuccore/HQ731031.1
  • reference
    https://www.uniprot.org/uniprotkb/F1DBA7
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Reviewed mpaA, taxon5074; entry32, sequence1, annotation2026-09-02. CATALYTIC ACTIVITY assigns RHEA:66676; provenance: ECO:0000269 PubMed:21398490. These are database evidence codes, not independently inspected primary assays in this curation.
    snippet
    5,7-dihydroxy-4-methylphthalide + (2E,6E)-farnesyl diphosphate = 4-farnesyl-3,5-dihydroxy-6-methylphthalide + diphosphate
  • reference
    https://www.ncbi.nlm.nih.gov/protein/ADY00128.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Native reference identity only: Penicillium brevicompactum IBT 23078, taxon5074, ADY00128.1, 315 residues. No experimental stock or engineered construct is identified.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/HQ731031.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-12
    notes
    Complete 948-nt/3-exon CDS; complement(join(HQ731031.1:7000..7594, HQ731031.1:7668..7914,HQ731031.1:8031..8136)). Table1/codon1 translation equals the CDS annotation, GenPept and all 315 UniProt residues. Independent GenPept coded_by extraction gives identical DNA.
5,7-Dihydroxy-4-methylphthalide (DHMP) is_substrate_in_database_reaction DHMP farnesylation
https://www.uniprot.org/uniprotkb/F1DBA7
  • reference
    https://www.uniprot.org/uniprotkb/F1DBA7
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66676; provenance: ECO:0000269 PubMed:21398490.
DHMP farnesylation has_database_reaction_product 4-Farnesyl-3,5-dihydroxy-6-methylphthalide (FDHMP)
https://www.uniprot.org/uniprotkb/F1DBA7
  • reference
    https://www.uniprot.org/uniprotkb/F1DBA7
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66676; provenance: ECO:0000269 PubMed:21398490.
MpaB (IBT23078 reference) is_by_similarity_predicted_catalyst_of FDHMP side-chain cleavage (by similarity)
https://www.uniprot.org/uniprotkb/F1DBA8
https://www.ncbi.nlm.nih.gov/protein/ADY00129.1
https://www.ncbi.nlm.nih.gov/nuccore/HQ731031.1
  • reference
    https://www.uniprot.org/uniprotkb/F1DBA8
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Reviewed mpaB, taxon5074; entry28, sequence1, annotation2026-09-02. CATALYTIC ACTIVITY assigns RHEA:66688; provenance: ECO:0000250 UniProtKB:A0A0B5LB52. These are database evidence codes, not independently inspected primary assays in this curation. Function is explicitly by similarity to NRRL864 MpaB'; no strain-to-strain assay transfer.
    snippet
    ER-bound oxygenase mpaB
  • reference
    https://www.ncbi.nlm.nih.gov/protein/ADY00129.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Native reference identity only: Penicillium brevicompactum IBT 23078, taxon5074, ADY00129.1, 392 residues. No experimental stock or engineered construct is identified.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/HQ731031.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-12
    notes
    Complete 1179-nt/4-exon CDS; join(HQ731031.1:9643..9927, HQ731031.1:10026..10520,HQ731031.1:10668..10954, HQ731031.1:11008..11119). Table1/codon1 translation equals the CDS annotation, GenPept and all 392 UniProt residues. Independent GenPept coded_by extraction gives identical DNA.
4-Farnesyl-3,5-dihydroxy-6-methylphthalide (FDHMP) is_substrate_in_inferred_database_reaction FDHMP side-chain cleavage (by similarity)
https://www.uniprot.org/uniprotkb/F1DBA8
  • reference
    https://www.uniprot.org/uniprotkb/F1DBA8
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66688; provenance: ECO:0000250 UniProtKB:A0A0B5LB52.
FDHMP side-chain cleavage (by similarity) has_inferred_database_reaction_product FDHMP-3C carboxylate intermediate
https://www.uniprot.org/uniprotkb/F1DBA8
  • reference
    https://www.uniprot.org/uniprotkb/F1DBA8
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66688; provenance: ECO:0000250 UniProtKB:A0A0B5LB52.
MpaH (IBT23078 reference) is_curator_inferred_catalyst_of Mycophenolyl-CoA hydrolysis (inferred) Disconnected late-step context: no edge bridges the unrepresented side-chain-processing reactions. Mycophenolate is not the neutral owner.
https://www.uniprot.org/uniprotkb/F1DBB4
https://www.ncbi.nlm.nih.gov/protein/ADY00135.1
https://www.ncbi.nlm.nih.gov/nuccore/HQ731031.1
  • reference
    https://www.uniprot.org/uniprotkb/F1DBB4
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Reviewed mpaH, taxon5074; entry33, sequence1, annotation2026-09-02. CATALYTIC ACTIVITY assigns RHEA:66704; provenance: ECO:0000305 PubMed:21398490. These are database evidence codes, not independently inspected primary assays in this curation. ECO:0000305 is curator inference, not an experiment on IBT23078 MpaH.
    snippet
    mycophenolyl-CoA + H2O = mycophenolate + CoA + H(+)
  • reference
    https://www.ncbi.nlm.nih.gov/protein/ADY00135.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Native reference identity only: Penicillium brevicompactum IBT 23078, taxon5074, ADY00135.1, 433 residues. No experimental stock or engineered construct is identified.
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/HQ731031.1
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-12
    notes
    Complete 1302-nt/4-exon CDS; complement(join(HQ731031.1:31005..31872, HQ731031.1:31944..32052,HQ731031.1:32106..32238, HQ731031.1:32294..32485)). Table1/codon1 translation equals the CDS annotation, GenPept and all 433 UniProt residues. Independent GenPept coded_by extraction gives identical DNA.
Mycophenolyl-CoA is_substrate_in_inferred_database_reaction Mycophenolyl-CoA hydrolysis (inferred)
https://www.uniprot.org/uniprotkb/F1DBB4
  • reference
    https://www.uniprot.org/uniprotkb/F1DBB4
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66704; provenance: ECO:0000305 PubMed:21398490.
Mycophenolyl-CoA hydrolysis (inferred) has_inferred_database_reaction_product Mycophenolate (ionic product)
https://www.uniprot.org/uniprotkb/F1DBB4
  • reference
    https://www.uniprot.org/uniprotkb/F1DBB4
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY assigns RHEA:66704; provenance: ECO:0000305 PubMed:21398490.

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Causal graph — biosynthesis 38 nodes, 42 edges

Penicillium brevicompactum NRRL864 (Pb864), in-vitro side-chain assembly. Compound numbers follow Fan et al. 2025. Cached main text and captions only; supplementary sequences and methods were inaccessible. Paper-labelled assay proteins remain ungrounded or review-needed, not substituted with homologs; MpaH' (mpah_prime) is linked to the separate NRRL 864 reference node mpah_prime_native (UniProtKB:A0A0B5LB55) without equating construct or splice-model identity. No native necessity, physiological rate limit, localization, preferred methylation order or quantitative kinetics is asserted. The demethylated branch stops at 3-CoA here; no unrepresented downstream steps are implied.

SubjectPredicateObjectNotesEvidence
PbACL75 (Pb864 paper label) catalyzes_in_reported_assay CoA ligation of 2 ATP, CoA, Mg2+; individual purified ligases.
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.1.
    snippet
    PbACL75, PbACL1224, PbACL891
PbACL1224 (Pb864 paper label) catalyzes_in_reported_assay CoA ligation of 2
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.1.
PbACL891 (Pb864 paper label) catalyzes_in_reported_assay CoA ligation of 2 P9WEY3 is an unadopted species/name candidate; the 2025 construct sequence was not inspected.
DOI:10.1002/advs.202508826
https://www.uniprot.org/uniprotkb/P9WEY3
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.1.
  • reference
    https://www.uniprot.org/uniprotkb/P9WEY3
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Reviewed ACL891,707aa,taxon5074; cites PMID31209052, not the 2025 experiment. Species-level candidate only.
MFDHMP-3C (2) is_reported_substrate_of CoA ligation of 2
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.1.
CoA ligation of 2 has_reported_product MFDHMP-3C-CoA (2-CoA)
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.1.
PbACL75 (Pb864 paper label) catalyzes_in_reported_assay CoA ligation of 3
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.1.
PbACL1224 (Pb864 paper label) catalyzes_in_reported_assay CoA ligation of 3
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.1.
PbACL891 (Pb864 paper label) catalyzes_in_reported_assay CoA ligation of 3
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.1.
FDHMP-3C (3) is_reported_substrate_of CoA ligation of 3
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.1.
CoA ligation of 3 has_reported_product FDHMP-3C-CoA (3-CoA)
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.1.
PbACOX323 (Pb864 paper label) catalyzes_in_reported_assay First-cycle desaturation
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.2.
MFDHMP-3C-CoA (2-CoA) is_reported_substrate_of First-cycle desaturation
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.2.
First-cycle desaturation has_reported_product 2,4-Dienoyl intermediate (5-CoA)
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.2.
PbDECR799 (Pb864 paper label) catalyzes_in_reported_assay Dienoyl-CoA reduction NADPH-dependent assay.
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.3.
2,4-Dienoyl intermediate (5-CoA) is_reported_substrate_of Dienoyl-CoA reduction
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.3.
Dienoyl-CoA reduction has_reported_product 3-Enoyl intermediate (9-CoA)
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.3.
PbECI1007 (Pb864 paper label) catalyzes_in_reported_assay Delta3-to-Delta2 isomerization Reported hydrolysis/chiral-HPLC and NMR distinguish the isomers despite initial coelution.
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.4.
3-Enoyl intermediate (9-CoA) is_reported_substrate_of Delta3-to-Delta2 isomerization
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.4.
Delta3-to-Delta2 isomerization has_reported_product 2-Enoyl intermediate (10-CoA)
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.4.
PbECHD1071 (Pb864 paper label) catalyzes_in_reported_assay First-cycle hydration/dehydrogenation Combined transformation; NAD+/FAD assay. Cofactor mechanism unresolved; not two isolated half-reaction assays.
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.5; 2.7.
2-Enoyl intermediate (10-CoA) is_reported_substrate_of First-cycle hydration/dehydrogenation
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.5; 2.7.
First-cycle hydration/dehydrogenation has_reported_product 3-Keto intermediate (8-CoA)
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.5; 2.7.
First-cycle hydration/dehydrogenation has_reported_detected_intermediate 3-Hydroxy intermediate (7-CoA) Intermediate detected in the one-pot system; attribution follows the reported reaction scheme.
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.5; 2.7.
PbKT298 (Pb864 paper label) catalyzes_in_reported_assay First-cycle thiolysis Enzyme addition to the specified reconstituted mixture, not an isolated-substrate assay.
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.6.
3-Keto intermediate (8-CoA) is_reported_substrate_of First-cycle thiolysis
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.6.
First-cycle thiolysis has_reported_product MFDHMP-5C-CoA (6-CoA)
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.6.
First-cycle thiolysis has_reported_product Acetyl-CoA
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.6.
PbACOX323 (Pb864 paper label) catalyzes_in_reported_assay Second-cycle desaturation
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.2.
MFDHMP-5C-CoA (6-CoA) is_reported_substrate_of Second-cycle desaturation
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.2.
Second-cycle desaturation has_reported_product 2-Enoyl intermediate (4-CoA)
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.2.
PbECHD1071 (Pb864 paper label) catalyzes_in_reported_assay Second-cycle hydration/dehydrogenation Combined transformation; NAD+/FAD assay. Cofactor mechanism unresolved; not two isolated half-reaction assays.
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.5; 2.7.
2-Enoyl intermediate (4-CoA) is_reported_substrate_of Second-cycle hydration/dehydrogenation
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.5; 2.7.
Second-cycle hydration/dehydrogenation has_reported_product 3-Keto intermediate (11-CoA)
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.5; 2.7.
Second-cycle hydration/dehydrogenation has_reported_detected_intermediate 3-Hydroxy intermediate (12-CoA) Intermediate detected in the one-pot system; attribution follows the reported reaction scheme.
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.5; 2.7.
PbKT298 (Pb864 paper label) catalyzes_in_reported_assay Second-cycle thiolysis Enzyme addition to the specified reconstituted mixture, not an isolated-substrate assay.
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.6.
3-Keto intermediate (11-CoA) is_reported_substrate_of Second-cycle thiolysis
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.6.
Second-cycle thiolysis has_reported_product MPA-CoA (1-CoA)
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.6.
Second-cycle thiolysis has_reported_product Propionyl-CoA
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.6.
MpaH' (2025 assay label) catalyzes_in_reported_assay MPA-CoA hydrolysis Addition to the final cascade mixture. The independent 2021 structure does not authenticate this 2025 construct.
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.7; Figure2 caption.
MPA-CoA (1-CoA) is_reported_substrate_of MPA-CoA hydrolysis
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.7; Figure2 caption.
MPA-CoA hydrolysis has_reported_product mycophenolic acid
DOI:10.1002/advs.202508826
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section2.7; Figure2 caption.
MpaH' native NRRL864 reference is_native_reference_for MpaH' (2025 assay label) UniProtKB:A0A0B5LB55 (Penicillium brevicompactum NRRL 864 MpaH', reviewed sequence version 2, 433 aa) is the canonical NRRL 864 reference for MpaH' (2025 assay label, node 'mpah_prime'). GenBank KM595305.1 translates a 398-aa three-exon model (AJG44385.1) that UniProt marks as an erroneous gene model (ALT_SEQ; 433-aa canonical sequence version 2 is supported by PDB 7DBI), while the IBT 23061 cluster deposit KJ863532.1 / AIA21557.1 encodes a 413-aa model. Because supplementary sequences and expression-construct details in Fan et al. 2025 were inaccessible, mpah_prime remains REVIEW_NEEDED and is not equated with the 433-aa canonical UniProt sequence, the 398-aa AJG44385.1 genomic translation, or the 413-aa AIA21557.1 IBT 23061 deposit.
https://www.uniprot.org/uniprotkb/A0A0B5LB55
DOI:10.1002/advs.202508826
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5LB55
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-21
    notes
    Reviewed Penicillium brevicompactum NRRL 864 MpaH' (A0A0B5LB55, KM595305.1 / AJG44385.1 cross-reference with ALT_SEQ gene-model correction from 398 aa to canonical 433 aa in sequence version 2; distinct from IBT 23061 KJ863532.1 / AIA21557.1, 413 aa); deposited NRRL 864 reference.
  • reference
    DOI:10.1002/advs.202508826
    evidence type
    PRIMARY_EXPERIMENT
    retrieved on
    2026-10-12
    notes
    Main text, section 2.7; Figure 2 caption reporting Pb864 MpaH' (node 'mpah_prime') without accessible supplementary construct sequence; experimental preparation is linked to UniProtKB:A0A0B5LB55 as its NRRL 864 reference without equating construct or splice-model sequences.

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Causal graph — biosynthesis 4 nodes, 3 edges

MpaH' canonical reference grounded by independent structural entity sequences. Reaction provenance remains database-only; the 2021 article itself was not inspected beyond its abstract. No native gene-model repair, assay-stock authentication, mutant catalysis, bound CoA substrate, quantitative specificity or dimer mechanism is claimed. Ionic mycophenolate remains distinct from neutral CHEBI:168396 and the 2025 paper-labelled assay.

SubjectPredicateObjectNotesEvidence
Type I acyl-CoA thioesterase mpaH' is_database_annotated_catalyst_of Database-annotated thioester hydrolysis
https://www.uniprot.org/uniprotkb/A0A0B5LB55
https://www.ebi.ac.uk/pdbe/entry-files/download/7dbi.cif
https://www.ebi.ac.uk/pdbe/entry-files/download/7dbl.cif
https://www.ncbi.nlm.nih.gov/protein/AJG44385.1
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5LB55
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    Reviewed433-aa MpaH', sequence2; RHEA:66704, ECO:0000269/PMID31209052. Database assertion, not an independently inspected 2019 assay.
    snippet
    mycophenolyl-CoA + H2O = mycophenolate + CoA + H(+)
  • reference
    https://www.ebi.ac.uk/pdbe/entry-files/download/7dbi.cif
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-12
    notes
    Independent NRRL864/taxon5074 deposit, chainsA-D, 1.99A. Entire433-aa declared canonical entity sequence equals A0A0B5LB55 after MSE-to-M normalization. Observed chains contain417-420 residues, not all433. Apo deposit contains water, no MPA-CoA. Deposit DBREF self-references PDB, so this mapping is computed, not a deposited UniProt cross-reference.
  • reference
    https://www.ebi.ac.uk/pdbe/entry-files/download/7dbl.cif
    evidence type
    CURATOR_INFERENCE
    retrieved on
    2026-10-12
    notes
    Independent NRRL864 deposit, chainsA-D,1.84A. Declared433-aa entity differs from A0A0B5LB55 only at S139A, agreeing with the deposit mutation. MOA is a product ligand, not MPA-CoA; no catalytic activity is transferred from this mutant structure.
  • reference
    https://www.ncbi.nlm.nih.gov/protein/AJG44385.1
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    The398-aa native reference remains an erroneous gene-model candidate, not a sequence match; structural agreement does not repair KM595305.1 or establish native splice junctions.
Mycophenolyl-CoA is_substrate_in_database_reaction Database-annotated thioester hydrolysis
https://www.uniprot.org/uniprotkb/A0A0B5LB55
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5LB55
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY RHEA:66704; database reaction only.
Database-annotated thioester hydrolysis has_database_reaction_product Mycophenolate (ionic product)
https://www.uniprot.org/uniprotkb/A0A0B5LB55
  • reference
    https://www.uniprot.org/uniprotkb/A0A0B5LB55
    evidence type
    DATABASE_ASSERTION
    retrieved on
    2026-10-12
    notes
    CATALYTIC ACTIVITY RHEA:66704; database reaction only.

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Bioactivities 25

Entries preserve source qualifiers, targets and evidence. Repeated assay names or values are not independent replications; inspect source detail for differences.

AssayResultTarget enzymeSource detail
A Cell Based Secondary Assay To Explore Cytotoxicity of West Nile Virus Anti-Viral Hit CompoundsOTHER 4.61 uM; ACTIVENot recorded
pubchem.aid:1650
assay
A Cell Based Secondary Assay To Explore Cytotoxicity of West Nile Virus Anti-Viral Hit Compounds
evidence
  • reference
    pubchem.aid:1650
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1650, deposited by Southern Research Specialized Biocontainment Screening Center; assay type Confirmatory. Source endpoint: CC50.
call
ACTIVE
measurement type
OTHER
value
4.61
units
uM
activity class
CYTOTOXIC
A Cell-Based Confirmatory Screen for Compounds that Inhibit VEEV, TC-83IC50 0.05 uM; ACTIVENot recorded
pubchem.aid:588727
assay
A Cell-Based Confirmatory Screen for Compounds that Inhibit VEEV, TC-83
evidence
  • reference
    pubchem.aid:588727
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 588727, deposited by Southern Research Specialized Biocontainment Screening Center; assay type Confirmatory.
call
ACTIVE
measurement type
IC50
value
0.05
units
uM
A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells.OTHER 0.3663 uM; INACTIVENot recorded
pubchem.aid:624296
assay
A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells.
evidence
  • reference
    pubchem.aid:624296
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 624296, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession NP_056979 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
INACTIVE
measurement type
OTHER
value
0.3663
units
uM
Acetylcholinesterase (AChE) small molecule antagonists: fluorescence cell-based qHTS assayOTHER 43.6486 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1347398
assay
Acetylcholinesterase (AChE) small molecule antagonists: fluorescence cell-based qHTS assay
evidence
  • reference
    pubchem.aid:1347398
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1347398, deposited by 824; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAA68151 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
43.6486
units
uM
BET inhibitor-based combinations targeting novel dependencies in MECOM-rearranged (r) AML: AML-191 cell lineOTHER 1.0484 uM; ACTIVENot recorded
pubchem.aid:2202236
assay
BET inhibitor-based combinations targeting novel dependencies in MECOM-rearranged (r) AML: AML-191 cell line
evidence
  • reference
    pubchem.aid:2202236
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202236, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
1.0484
units
uM
BET inhibitor-based combinations targeting novel dependencies in MECOM-rearranged (r) AML: AML-194 cell lineOTHER 1.3198 uM; ACTIVENot recorded
pubchem.aid:2202237
assay
BET inhibitor-based combinations targeting novel dependencies in MECOM-rearranged (r) AML: AML-194 cell line
evidence
  • reference
    pubchem.aid:2202237
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202237, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
1.3198
units
uM
BET inhibitor-based combinations targeting novel dependencies in MECOM-rearranged (r) AML: HNT-34 cell lineOTHER 1.4809 uM; NOT_DETERMINEDNot recorded
pubchem.aid:2202234
assay
BET inhibitor-based combinations targeting novel dependencies in MECOM-rearranged (r) AML: HNT-34 cell line
evidence
  • reference
    pubchem.aid:2202234
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202234, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
1.4809
units
uM
BET inhibitor-based combinations targeting novel dependencies in MECOM-rearranged (r) AML: MV-4-11 cell lineOTHER 0.7422 uM; ACTIVENot recorded
pubchem.aid:2202233
assay
BET inhibitor-based combinations targeting novel dependencies in MECOM-rearranged (r) AML: MV-4-11 cell line
evidence
  • reference
    pubchem.aid:2202233
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202233, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.7422
units
uM
BET inhibitor-based combinations targeting novel dependencies in MECOM-rearranged (r) AML: OCI-AML3 cell lineOTHER 1.3198 uM; ACTIVENot recorded
pubchem.aid:2202232
assay
BET inhibitor-based combinations targeting novel dependencies in MECOM-rearranged (r) AML: OCI-AML3 cell line
evidence
  • reference
    pubchem.aid:2202232
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202232, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
1.3198
units
uM
BET inhibitor-based combinations targeting novel dependencies in MECOM-rearranged (r) AML: SET-2 cell lineOTHER 1.1763 uM; ACTIVENot recorded
pubchem.aid:2202231
assay
BET inhibitor-based combinations targeting novel dependencies in MECOM-rearranged (r) AML: SET-2 cell line
evidence
  • reference
    pubchem.aid:2202231
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202231, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
1.1763
units
uM
BET inhibitor-based combinations targeting novel dependencies in MECOM-rearranged (r) AML: UCSD-AML1 cell lineOTHER 0.8327 uM; ACTIVENot recorded
pubchem.aid:2202235
assay
BET inhibitor-based combinations targeting novel dependencies in MECOM-rearranged (r) AML: UCSD-AML1 cell line
evidence
  • reference
    pubchem.aid:2202235
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202235, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
0.8327
units
uM
Caspase-3/7 induction in CHO-K1 cells by small molecules, qHTS cell viability counter screenOTHER 1.1883 uM; ACTIVENot recorded
pubchem.aid:1346979
assay
Caspase-3/7 induction in CHO-K1 cells by small molecules, qHTS cell viability counter screen
evidence
  • reference
    pubchem.aid:1346979
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1346979, deposited by 824; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
1.1883
units
uM
Caspase-3/7 induction in HepG2 cells by small molecules, qHTS cell viability counter screenOTHER 1.496 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1346981
assay
Caspase-3/7 induction in HepG2 cells by small molecules, qHTS cell viability counter screen
evidence
  • reference
    pubchem.aid:1346981
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1346981, deposited by 824; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
1.496
units
uM
Cellular viability qHTS for adrenocortical cancer (ACC) cell line NCI-H295ROTHER 0.7308 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1963990
assay
Cellular viability qHTS for adrenocortical cancer (ACC) cell line NCI-H295R
evidence
  • reference
    pubchem.aid:1963990
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1963990, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
0.7308
units
uM
Cellular viability qHTS for adrenocortical cancer (ACC) cell line NCI-H295ROTHER 3.1623 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1963990
assay
Cellular viability qHTS for adrenocortical cancer (ACC) cell line NCI-H295R
evidence
  • reference
    pubchem.aid:1963990
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1963990, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
3.1623
units
uM
Cellular viability qHTS for adrenocortical cancer (ACC) cell line SW-13OTHER 14.1254 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1963989
assay
Cellular viability qHTS for adrenocortical cancer (ACC) cell line SW-13
evidence
  • reference
    pubchem.aid:1963989
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1963989, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
14.1254
units
uM
Cellular viability qHTS for anaplastic thyroid cancer (ATC) cell line 8505COTHER 0.2897 uM; NOT_DETERMINEDNot recorded
pubchem.aid:2202553
assay
Cellular viability qHTS for anaplastic thyroid cancer (ATC) cell line 8505C
evidence
  • reference
    pubchem.aid:2202553
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202553, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
0.2897
units
uM
Cellular viability qHTS for anaplastic thyroid cancer (ATC) cell line 8505COTHER 3.0962 uM; ACTIVENot recorded
pubchem.aid:2202553
assay
Cellular viability qHTS for anaplastic thyroid cancer (ATC) cell line 8505C
evidence
  • reference
    pubchem.aid:2202553
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202553, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
3.0962
units
uM
activity class
CYTOTOXIC
Cellular viability qHTS for anaplastic thyroid cancer (ATC) cell line THJ-11TOTHER 0.4592 uM; NOT_DETERMINEDNot recorded
pubchem.aid:2202552
assay
Cellular viability qHTS for anaplastic thyroid cancer (ATC) cell line THJ-11T
evidence
  • reference
    pubchem.aid:2202552
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202552, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
0.4592
units
uM
Cellular viability qHTS for anaplastic thyroid cancer (ATC) cell line THJ-11TOTHER 3.0962 uM; NOT_DETERMINEDNot recorded
pubchem.aid:2202552
assay
Cellular viability qHTS for anaplastic thyroid cancer (ATC) cell line THJ-11T
evidence
  • reference
    pubchem.aid:2202552
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202552, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
3.0962
units
uM
Cellular viability qHTS for anaplastic thyroid cancer (ATC) cell line THJ-16TOTHER 0.3251 uM; NOT_DETERMINEDNot recorded
pubchem.aid:2202551
assay
Cellular viability qHTS for anaplastic thyroid cancer (ATC) cell line THJ-16T
evidence
  • reference
    pubchem.aid:2202551
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202551, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
0.3251
units
uM
Cellular viability qHTS for anaplastic thyroid cancer (ATC) cell line THJ-16TOTHER 2.1919 uM; ACTIVENot recorded
pubchem.aid:2202551
assay
Cellular viability qHTS for anaplastic thyroid cancer (ATC) cell line THJ-16T
evidence
  • reference
    pubchem.aid:2202551
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202551, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
2.1919
units
uM
activity class
CYTOTOXIC
Confirmation Concentration-Response Assay for Enhancers of SMN2 Splice Variant ExpressionOTHER 0.1585 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1740
assay
Confirmation Concentration-Response Assay for Enhancers of SMN2 Splice Variant Expression
evidence
  • reference
    pubchem.aid:1740
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1740, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_059107 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
0.1585
units
uM
Confirmation Concentration-Response Assay for Enhancers of SMN2 Splice Variant ExpressionOTHER 0.1 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1740
assay
Confirmation Concentration-Response Assay for Enhancers of SMN2 Splice Variant Expression
evidence
  • reference
    pubchem.aid:1740
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1740, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_059107 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
0.1
units
uM
Confirmation Concentration-Response Assay for Enhancers of SMN2 Splice Variant ExpressionOTHER 0.3548 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1740
assay
Confirmation Concentration-Response Assay for Enhancers of SMN2 Splice Variant Expression
evidence
  • reference
    pubchem.aid:1740
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1740, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_059107 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
0.3548
units
uM
notes
318 further PubChem assay results are in data/raw/pubchem_bioassay.tsv but not written here.

Elsewhere in the fleet

Explore across X-Mech

AntibioticMech (mycophenolic acid) ↗ MediaIngredientMech (CHEBI:168396) ↗ TaxonMech: Penicillium brevicompactum (NCBITaxon:5074) ↗ TaxonMech: Penicillium roqueforti (NCBITaxon:5082) ↗ TaxonMech: Penicillium brevicompactum (NCBITaxon:5074) ↗ TaxonMech: Penicillium roqueforti (NCBITaxon:5082) ↗ PathwayMech (mibig:BGC0000104) ↗ PathwayMech (mibig:BGC0002616) ↗ PathwayMech (mibig:BGC0002619) ↗

Open questions 2

shared-structure — This structure is reported by more than one MIBiG entry: BGC0000104, BGC0001677, BGC0002616, BGC0002619. Confirm they describe the same compound rather than an upstream cross-reference error.

curator-mpah-prime-reference-gene-model — How should the NRRL864 MpaH' canonical433-aa sequence be reconciled with deposited AJG44385.1/KM595305.1 (398aa)?

Provenance

Source conceptSourceVersion
BGC0000104MIBIG4
BGC0002616MIBIG2
BGC0002619MIBIG2
BGC0001677MIBIG3
CHEBI:168396CHEBI3-star

This page is generated from data/natural_products/polyketides/mycophenolic-acid.yaml, which is generated from the committed inventories. Neither is edited by hand.