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all-cis-5,8,11,14,17-icosapentaenoic acid

CHEBI:28364 EXACT SEEDED enzyme inhibitor

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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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.

An icosapentaenoic acid having five cis-double bonds at positions 5, 8, 11, 14 and 17.

Structure

Standard InChIKeyJAZBEHYOTPTENJ-JLNKQSITSA-N
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
Stereochemistryfully defined
Cross-referencespubchem:446284

Filing pathway

Fatty acids — 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 other, 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
Shewanella sp. BR-2
NCBITaxon:563072		 SOURCE_ASSERTION mibig:BGC0000861 PMID:19809243
Shewanella pneumatophori
NCBITaxon:314092		 SOURCE_ASSERTION mibig:BGC0000862 PMID:9274025
Pseudoalteromonas sp. DS-12
NCBITaxon:375285		 SOURCE_ASSERTION mibig:BGC0000863 PMID:17122401
Photobacterium profundum SS9
NCBITaxon:298386		 SOURCE_ASSERTION mibig:BGC0000865 PMID:12055309

Occurrences 25

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
Mus musculus
NCBITaxon:10090		 CHEBI MTBLS143
Eurhynchium striatum
NCBITaxon:113274		 LOTUS DOI:10.1016/0031-9422(91)85024-T
Alpinia oxyphylla
NCBITaxon:125261		 LOTUS DOI:10.1016/J.JPBA.2014.10.014
Sphagnum palustre
NCBITaxon:13805		 LOTUS DOI:10.1016/0031-9422(91)83188-Q
Dicranum japonicum
NCBITaxon:1385677		 LOTUS DOI:10.1016/0031-9422(91)83188-Q
Ulota crispa
NCBITaxon:140636		 LOTUS DOI:10.1016/0031-9422(91)83188-Q
Nannochloropsis oceanica
NCBITaxon:145522		 LOTUS DOI:10.1016/J.BIORTECH.2014.12.012
Scopelophila cataractae
NCBITaxon:146586		 LOTUS DOI:10.1016/0031-9422(91)83188-Q
Perilla frutescens
NCBITaxon:151328		 LOTUS DOI:10.3390/MOLECULES25092099
Ptilota filicina
NCBITaxon:153248		 LOTUS DOI:10.1021/BI00255A002
Thuidium pristocalyx
NCBITaxon:171374		 LOTUS DOI:10.1016/0031-9422(91)83188-Q
Thuidium glaucinum
NCBITaxon:173666		 LOTUS DOI:10.1016/0031-9422(91)83188-Q
Hedlundia hybrida
NCBITaxon:1775740		 LOTUS DOI:10.1021/JF071791S
Brachythecium buchananii
NCBITaxon:184619		 LOTUS DOI:10.1016/0031-9422(91)83188-Q
Oncophorus crispifolius
NCBITaxon:1852632		 LOTUS DOI:10.1016/0031-9422(91)83188-Q
Pogonatum inflexum
NCBITaxon:185755		 LOTUS DOI:10.1016/0031-9422(91)83188-Q
Campylopus richardii
NCBITaxon:193026		 LOTUS DOI:10.1016/0031-9422(91)83188-Q
Dolichomitra cymbifolia
NCBITaxon:195670		 LOTUS DOI:10.1016/0031-9422(91)83188-Q
Rhizomnium tuomikoskii
NCBITaxon:2006508		 LOTUS DOI:10.1016/0031-9422(91)83188-Q
Fissidens nobilis
NCBITaxon:2008595		 LOTUS DOI:10.1016/0031-9422(91)83188-Q
Sarcophyton trocheliophorum
NCBITaxon:205097		 LOTUS DOI:10.1016/S0040-4020(01)00853-5
Tornabea scutellifera
NCBITaxon:205647		 LOTUS DOI:10.1002/CHIN.199517179
Wijkia concavifolia
NCBITaxon:213177		 LOTUS DOI:10.1016/0031-9422(91)83188-Q
Shewanella
NCBITaxon:22		 LOTUS DOI:10.4014/JMB.0902.090
Grimmia pilifera
NCBITaxon:254107		 LOTUS DOI:10.1016/0031-9422(91)83188-Q

Biosynthetic gene clusters 4

AccessionHostLocus evidenceGenome
mibig:BGC0000861 Shewanella sp. BR-2
NCBITaxon:563072 		CLUSTER_UNSTATED genbank:EU719604.1
mibig:BGC0000862 Shewanella pneumatophori
NCBITaxon:314092 		CLUSTER_UNSTATED genbank:U73935.1
mibig:BGC0000863 Pseudoalteromonas sp. DS-12
NCBITaxon:375285 		CLUSTER_UNSTATED genbank:DQ469875.1
mibig:BGC0000865 Photobacterium profundum SS9
NCBITaxon:298386 		CLUSTER_UNSTATED genbank:AF409100.1

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 (0 causal) 25 cited occurrences BIOSYNTHETIC LOCUS 4 gene clusters 0 curated pathway steps NATURAL PRODUCT all-cis-5,8,11,14,17-ic… CHEBI:28364 Fatty acids TARGETS & BIOACTIVITY 0 molecular targets 25 bioactivities · 1 graph

Causal graph — bioactivity 2 nodes, 1 edge

all-cis-5,8,11,14,17-icosapentaenoic acid binds the human PPAR-delta ligand-binding domain captured in PDB 3GWX.

SubjectPredicateObjectNotesEvidence
all-cis-5,8,11,14,17-icosapentaenoic acid binds human peroxisome proliferator-activated receptor delta PubChem BioAssay AID 977608 maps this exact Standard InChIKey to an active 4 uM IC50 row for PDB 3GWX chain A; PDBe maps 3GWX_A to Homo sapiens UniProtKB:Q03181, and RCSB reports the EPA non-polymer ligand with the record's Standard InChIKey in 3GWX.
DOI:10.1016/S1097-2765(00)80467-0
DOI:10.2210/pdb3gwx/pdb
  • reference
    DOI:10.1016/S1097-2765(00)80467-0
    evidence type
    PRIMARY_EXPERIMENT
    snippet
    Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
    notes
    Xu et al. solved PDB 3GWX as an EPA-bound human PPAR-delta ligand-binding-domain structure.
  • reference
    DOI:10.2210/pdb3gwx/pdb
    evidence type
    DATABASE_ASSERTION
    notes
    RCSB PDB identifies 3GWX as a human PPAR-delta ligand-binding-domain structure containing the EPA ligand, and PDBe maps chain A to the canonical Homo sapiens PPARD sequence in UniProtKB:Q03181.

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
Confirmatory qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV)OTHER 8.1905 uM; ACTIVENot recorded
pubchem.aid:1964105
assay
Confirmatory qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV)
evidence
  • reference
    pubchem.aid:1964105
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1964105, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
8.1905
units
uM
activity class
ENZYME_INHIBITOR
Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDBIC50 4 uM; ACTIVENot recorded
PMID:10198642
assay
Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB
evidence
  • reference
    PMID:10198642
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 977608, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 3GWX_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
IC50
value
4.0
units
uM
activity class
ENZYME_INHIBITOR
HepG2 viability counterscreen (readout 1: protease activity) against the NCATS DSHEA and TCM librariesOTHER 12.5893 uM; INACTIVENot recorded
PMID:37200814
assay
HepG2 viability counterscreen (readout 1: protease activity) against the NCATS DSHEA and TCM libraries
evidence
  • reference
    PMID:37200814
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1794841, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
INACTIVE
measurement type
OTHER
value
12.5893
units
uM
Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTSOTHER 8.4368 uM; NOT_DETERMINEDNot recorded
pubchem.aid:504845
assay
Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS
evidence
  • reference
    pubchem.aid:504845
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504845, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession ABC94591 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
8.4368
units
uM
Inhibitors of USP1/UAF1: Pilot qHTSOTHER 79.4328 uM; NOT_DETERMINEDNot recorded
pubchem.aid:504865
assay
Inhibitors of USP1/UAF1: Pilot qHTS
evidence
  • reference
    pubchem.aid:504865
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504865, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAH18745 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
79.4328
units
uM
Inhibitors of the vitamin D receptor (VDR): qHTSOTHER 39.8107 uM; ACTIVENot recorded
pubchem.aid:504847
assay
Inhibitors of the vitamin D receptor (VDR): qHTS
evidence
  • reference
    pubchem.aid:504847
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504847, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession NP_001017535 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
OTHER
value
39.8107
units
uM
activity class
ENZYME_INHIBITOR
Primary qHTS Assay for Inhibitors of Recombinant Selenoprotein Glutathione Peroxidase 4 (GPX4)OTHER 11.2202 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1845192
assay
Primary qHTS Assay for Inhibitors of Recombinant Selenoprotein Glutathione Peroxidase 4 (GPX4)
evidence
  • reference
    pubchem.aid:1845192
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1845192, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
11.2202
units
uM
Primary qHTS Assay for Inhibitors of Recombinant Selenoprotein Glutathione Peroxidase 4 (GPX4)OTHER 11.2202 uM; NOT_DETERMINEDUniProtKB:P36969
pubchem.aid:1845192
assay
Primary qHTS Assay for Inhibitors of Recombinant Selenoprotein Glutathione Peroxidase 4 (GPX4)
evidence
  • reference
    pubchem.aid:1845192
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1845192, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
11.2202
units
uM
target enzyme
UniProtKB:P36969
Primary qHTS for agonist of constitutive androstane receptor (CAR) against the NCATS DSHEA and TCM librariesOTHER 14.1254 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1794839
assay
Primary qHTS for agonist of constitutive androstane receptor (CAR) against the NCATS DSHEA and TCM libraries
evidence
  • reference
    pubchem.aid:1794839
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1794839, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
14.1254
units
uM
Primary qHTS for antagonist of constitutive androstane receptor (CAR) against the NCATS DSHEA and TCM librariesOTHER 3.1623 uM; NOT_DETERMINEDNot recorded
PMID:37200814
assay
Primary qHTS for antagonist of constitutive androstane receptor (CAR) against the NCATS DSHEA and TCM libraries
evidence
  • reference
    PMID:37200814
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1794836, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
3.1623
units
uM
Primary qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV)OTHER 7.8513 uM; NOT_DETERMINEDUniProtKB:Q8JUX6
pubchem.aid:1964107
assay
Primary qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV)
evidence
  • reference
    pubchem.aid:1964107
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1964107, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
7.8513
units
uM
target enzyme
UniProtKB:Q8JUX6
Selectivity profile for inhibitors of NSP2Pro chikungunya virus (CHIKV): Endogenous NS2/3 peptide CounterscreenOTHER 37.5444 uM; NOT_DETERMINEDUniProtKB:Q8JUX6
pubchem.aid:1964103
assay
Selectivity profile for inhibitors of NSP2Pro chikungunya virus (CHIKV): Endogenous NS2/3 peptide Counterscreen
evidence
  • reference
    pubchem.aid:1964103
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1964103, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
37.5444
units
uM
target enzyme
UniProtKB:Q8JUX6
Selectivity profile for inhibitors of NSP2Pro chikungunya virus (CHIKV): Full length NSP2 enzyme counterscreen (CHIKV-NSP2)OTHER 6.6764 uM; ACTIVEUniProtKB:Q8JUX6
pubchem.aid:1964101
assay
Selectivity profile for inhibitors of NSP2Pro chikungunya virus (CHIKV): Full length NSP2 enzyme counterscreen (CHIKV-NSP2)
evidence
  • reference
    pubchem.aid:1964101
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1964101, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
6.6764
units
uM
target enzyme
UniProtKB:Q8JUX6
activity class
ENZYME_INHIBITOR
Selectivity profile for inhibitors of NSP2Pro chikungunya virus (CHIKV): Papain CounterscreenOTHER 33.4615 uM; ACTIVEUniProtKB:P00784
pubchem.aid:1964104
assay
Selectivity profile for inhibitors of NSP2Pro chikungunya virus (CHIKV): Papain Counterscreen
evidence
  • reference
    pubchem.aid:1964104
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1964104, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
33.4615
units
uM
target enzyme
UniProtKB:P00784
activity class
ENZYME_INHIBITOR
Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1)OTHER 100 uM; INACTIVENot recorded
pubchem.aid:1645883
assay
Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1)
evidence
  • reference
    pubchem.aid:1645883
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645883, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
INACTIVE
measurement type
OTHER
value
100.0
units
uM
Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1)OTHER 100 uM; INACTIVEUniProtKB:O95398
pubchem.aid:1645883
assay
Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1)
evidence
  • reference
    pubchem.aid:1645883
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645883, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
INACTIVE
measurement type
OTHER
value
100.0
units
uM
target enzyme
UniProtKB:O95398
Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2)OTHER 79.4328 uM; INACTIVENot recorded
pubchem.aid:1645887
assay
Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2)
evidence
  • reference
    pubchem.aid:1645887
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645887, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
INACTIVE
measurement type
OTHER
value
79.4328
units
uM
Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2)OTHER 79.4328 uM; INACTIVEUniProtKB:Q8WZA2
pubchem.aid:1645887
assay
Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2)
evidence
  • reference
    pubchem.aid:1645887
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645887, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
INACTIVE
measurement type
OTHER
value
79.4328
units
uM
target enzyme
UniProtKB:Q8WZA2
Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1)OTHER 0.631 uM; INACTIVENot recorded
pubchem.aid:1645882
assay
Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1)
evidence
  • reference
    pubchem.aid:1645882
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645882, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
INACTIVE
measurement type
OTHER
value
0.631
units
uM
Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1)OTHER 0.631 uM; INACTIVEUniProtKB:O95398
pubchem.aid:1645882
assay
Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1)
evidence
  • reference
    pubchem.aid:1645882
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645882, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
INACTIVE
measurement type
OTHER
value
0.631
units
uM
target enzyme
UniProtKB:O95398
qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1)OTHER 39.8107 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1030
assay
qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1)
evidence
  • reference
    pubchem.aid:1030
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1030, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAP35567 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
39.8107
units
uM
qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase)OTHER 89.1251 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1490
assay
qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase)
evidence
  • reference
    pubchem.aid:1490
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1490, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAG24257 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
89.1251
units
uM
qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase)OTHER 70.7946 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1490
assay
qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase)
evidence
  • reference
    pubchem.aid:1490
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1490, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAG24257 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
70.7946
units
uM
qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9aOTHER 5.0119 uM; NOT_DETERMINEDNot recorded
pubchem.aid:504332
assay
qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a
evidence
  • reference
    pubchem.aid:504332
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504332, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession CAQ07474 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
5.0119
units
uM
qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interactionOTHER 50.1187 uM; NOT_DETERMINEDNot recorded
pubchem.aid:2662
assay
qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction
evidence
  • reference
    pubchem.aid:2662
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2662, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_005924 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
50.1187
units
uM
notes
12 further PubChem assay results are in data/raw/pubchem_bioassay.tsv but not written here.

Explore across X-Mech

AntibioticMech (all-cis-5,8,11,14,17-icosapentaenoic acid) ↗ MediaIngredientMech (CHEBI:28364) ↗ TaxonMech: Shewanella sp. BR-2 (NCBITaxon:563072) ↗ TaxonMech: Shewanella pneumatophori (NCBITaxon:314092) ↗ TaxonMech: Pseudoalteromonas sp. DS-12 (NCBITaxon:375285) ↗ TaxonMech: Photobacterium profundum SS9 (NCBITaxon:298386) ↗ PathwayMech (mibig:BGC0000861) ↗ PathwayMech (mibig:BGC0000862) ↗ PathwayMech (mibig:BGC0000863) ↗

Open questions 2

name-disagreement — ChEBI calls this structure 'all-cis-5,8,11,14,17-icosapentaenoic acid' and MIBiG calls it 'eicosapentaenoic acid', 'eicoseicosapentaenoic acid'. They share a Standard InChIKey, so if the names denote different compounds then one upstream record has the wrong structure. Check which.

shared-structure — This structure is reported by more than one MIBiG entry: BGC0000861, BGC0000862, BGC0000863, BGC0000865. Confirm they describe the same compound rather than an upstream cross-reference error.

Provenance

Source conceptSourceVersion
BGC0000861MIBIG5
BGC0000862MIBIG3
BGC0000863MIBIG3
BGC0000865MIBIG3
CHEBI:28364CHEBI3-star

This page is generated from data/natural_products/fatty_acids/all-cis-5-8-11-14-17-icosapentaenoic-acid.yaml, which is generated from the committed inventories. Neither is edited by hand.