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iso-migrastatin

naturalproductmech:mibig-e9562df516 MINTED SEEDED

Grounding review: No 3-star ChEBI entry shares this structure, so the record keeps a content-hashed identifier.
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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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.

Structure

Standard InChIKeyTYTDEHCAAKKYOG-ZTTCWHDESA-N
SMILESCO[C@H]1\C=C\CC\C=C\C(=O)OC([C@@H](C)[C@@H]1O)C(\C)=C\[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1
Stereochemistry undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers
Cross-referencesnpatlas:NPA013569, pubchem:15940571, chembl:CHEMBL1221912

Filing pathway

Alkaloids — 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 1

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
Streptomyces platensis subsp. rosaceus
NCBITaxon:684832		 BGC_CHARACTERIZED mibig:BGC0000177 PMID:19726666

Occurrences 1

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
Streptomyces platensis
NCBITaxon:58346		 LOTUS DOI:10.1021/JA043808I

Biosynthetic gene clusters 1

AccessionHostLocus evidenceGenome
mibig:BGC0000177 Streptomyces platensis subsp. rosaceus
NCBITaxon:684832 		CLUSTER_DEMONSTRATED genbank:GQ274953.1

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 1 producer (1 causal) 1 cited occurrence BIOSYNTHETIC LOCUS 1 gene cluster 0 curated pathway steps NATURAL PRODUCT iso-migrastatin naturalproductmech:mibig-e9562df516 Alkaloids TARGETS & BIOACTIVITY 0 molecular targets 0 bioactivities · 6 graphs

Causal graph — biosynthesis 2 nodes, 1 edge

Native-reference identity for Streptomyces platensis subsp. rosaceus NRRL 18993/taxon 684832, BGC0000177. Matching sequence references do not establish measured expression, an assay construct, enzyme activity, assembly or cofactor occupancy. No transfer to BGC0000083.

SubjectPredicateObjectNotesEvidence
ORF 9 CDS (GQ274953.1) encodes the native protein reference MgsI (NRRL 18993 native-reference example) Forward-strand 49855..50871; 1017-nt complete CDS including stop, 338 residues.
https://www.ncbi.nlm.nih.gov/nuccore/GQ274953.1
https://www.ncbi.nlm.nih.gov/protein/ACY01394.1
https://www.uniprot.org/uniprotkb/D0U2E7/entry
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000327.json
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/GQ274953.1
    evidence type
    DATABASE_ASSERTION
    notes
    GenBank assigns ACY01394.1 to ORF 9, with codon_start 1 and translation table 11.
    retrieved on
    2026-10-08
    snippet
    /note="ORF 9"
  • reference
    https://www.ncbi.nlm.nih.gov/protein/ACY01394.1
    evidence type
    DATABASE_ASSERTION
    notes
    GenPept maps the same native strain and protein to this GQ274953.1 CDS.
    retrieved on
    2026-10-08
  • reference
    https://www.uniprot.org/uniprotkb/D0U2E7/entry
    evidence type
    CURATOR_INFERENCE
    notes
    Unreviewed entry version 42, sequence version 1. CDS-aware translation, deposited translation, GenPept and UniProt agree over all 338 residues. No specific FUNCTION or CATALYTIC ACTIVITY comment; computational family/domain annotations do not establish native enzyme activity.
    retrieved on
    2026-10-08
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000327.json
    evidence type
    DATABASE_ASSERTION
    notes
    Active MITE0000327 version 1 maps MgsI to D0U2E7/ACY01394.1/BGC0000177. The deposited sequence records use ORF 9, not an explicit MgsI gene-name qualifier.
    retrieved on
    2026-10-08

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

Causal graph — biosynthesis 4 nodes, 3 edges

Partial database-annotated C-16/C-17 enoyl reduction graph from MITE0000327 version 1. MITE classifies its evidence as Knock-out studies and cites DOI:10.1021/ja4002635; only that paper's abstract was inspected, and full-text access stopped at the publisher purchase notice. This is not an independently inspected primary experiment or verified substrate assay. Separate model reactions do not establish pathway order or a complete route. No modeled product is identified with the exact owner; its three double-bond configurations remain unspecified. Chemical and process nodes stay ungrounded, without invented ChEBI/Rhea identities.

SubjectPredicateObjectNotesEvidence
MgsI (NRRL 18993 native-reference example) is annotated to catalyze C-16/C-17 enoyl reduction (database-annotated) Database reaction assignment, not a directly inspected enzyme assay or strict-specificity claim.
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000327.json
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000327.json
    evidence type
    DATABASE_ASSERTION
    notes
    Active MITE0000327 version 1 maps MgsI to D0U2E7/ACY01394.1/BGC0000177. The deposited sequence records use ORF 9, not an explicit MgsI gene-name qualifier. Reaction evidence is categorized by MITE as Knock-out studies; no measured rates, native assembly or cofactor specificity are adopted.
    retrieved on
    2026-10-08
    snippet
    enoyl reduction of the C-16/C-17 olefin in iso-migrastatin biosynthesis
MgsI substrate (MITE model) is the modeled substrate of C-16/C-17 enoyl reduction (database-annotated) Source model only; no independently verified assay substrate or reaction order.
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000327.json
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000327.json
    evidence type
    DATABASE_ASSERTION
    notes
    RDKit 2026.03.5 model substrate key VUUITJRXEQWODP-GHOXTBCFSA-N. Different connectivity from the owner; the modeled C-16/C-17 olefin is reduced.
    retrieved on
    2026-10-08
C-16/C-17 enoyl reduction (database-annotated) is modeled to yield MgsI product (MITE model) Modeled product only, not a direct exact-owner-producing edge.
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000327.json
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000327.json
    evidence type
    DATABASE_ASSERTION
    notes
    RDKit 2026.03.5 model product key SBOCUPFPPJWMJW-QQPTYUHPSA-N. Different connectivity from the owner and lacks its C-8 methoxy group. The MITE isIntermediate=false flag does not establish final iso-migrastatin identity. Three unspecified double bonds are not completed from the substrate.
    retrieved on
    2026-10-08

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

Causal graph — biosynthesis 2 nodes, 1 edge

Native-reference identity for Streptomyces platensis subsp. rosaceus NRRL 18993/taxon 684832, BGC0000177. Matching sequence references do not establish measured expression, an assay construct, enzyme activity, assembly or cofactor occupancy. No transfer to BGC0000083.

SubjectPredicateObjectNotesEvidence
ORF 10 CDS (GQ274953.1) encodes the native protein reference MgsJ (NRRL 18993 native-reference example) Forward-strand 51167..52012; 846-nt complete CDS including stop, 281 residues.
https://www.ncbi.nlm.nih.gov/nuccore/GQ274953.1
https://www.ncbi.nlm.nih.gov/protein/ACY01395.1
https://www.uniprot.org/uniprotkb/D0U2E8/entry
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000328.json
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/GQ274953.1
    evidence type
    DATABASE_ASSERTION
    notes
    GenBank assigns ACY01395.1 to ORF 10, with codon_start 1 and translation table 11.
    retrieved on
    2026-10-08
    snippet
    /note="ORF 10"
  • reference
    https://www.ncbi.nlm.nih.gov/protein/ACY01395.1
    evidence type
    DATABASE_ASSERTION
    notes
    GenPept maps the same native strain and protein to this GQ274953.1 CDS.
    retrieved on
    2026-10-08
  • reference
    https://www.uniprot.org/uniprotkb/D0U2E8/entry
    evidence type
    CURATOR_INFERENCE
    notes
    Unreviewed entry version 31, sequence version 1. CDS-aware translation, deposited translation, GenPept and UniProt agree over all 281 residues. No specific FUNCTION or CATALYTIC ACTIVITY comment; computational family/domain annotations do not establish native enzyme activity.
    retrieved on
    2026-10-08
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000328.json
    evidence type
    DATABASE_ASSERTION
    notes
    Active MITE0000328 version 1 maps MgsJ to D0U2E8/ACY01395.1/BGC0000177. The deposited sequence records use ORF 10, not an explicit MgsJ gene-name qualifier.
    retrieved on
    2026-10-08

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

Causal graph — biosynthesis 4 nodes, 3 edges

Partial database-annotated C-8 O-methylation graph from MITE0000328 version 1. MITE classifies its evidence as Knock-out studies and cites DOI:10.1021/ja4002635; only that paper's abstract was inspected, and full-text access stopped at the publisher purchase notice. This is not an independently inspected primary experiment or verified substrate assay. Separate model reactions do not establish pathway order or a complete route. No modeled product is identified with the exact owner; its three double-bond configurations remain unspecified. Chemical and process nodes stay ungrounded, without invented ChEBI/Rhea identities.

SubjectPredicateObjectNotesEvidence
MgsJ (NRRL 18993 native-reference example) is annotated to catalyze C-8 O-methylation (database-annotated) Database reaction assignment, not a directly inspected enzyme assay or strict-specificity claim.
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000328.json
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000328.json
    evidence type
    DATABASE_ASSERTION
    notes
    Active MITE0000328 version 1 maps MgsJ to D0U2E8/ACY01395.1/BGC0000177. The deposited sequence records use ORF 10, not an explicit MgsJ gene-name qualifier. Reaction evidence is categorized by MITE as Knock-out studies; no measured rates, native assembly or cofactor specificity are adopted.
    retrieved on
    2026-10-08
    snippet
    O-methylation of the HO-C-8
MgsJ substrate (MITE model) is the modeled substrate of C-8 O-methylation (database-annotated) Source model only; no independently verified assay substrate or reaction order.
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000328.json
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000328.json
    evidence type
    DATABASE_ASSERTION
    notes
    RDKit 2026.03.5 model substrate key UBYNDTKCKXLUTH-IEJYOVIMSA-N. Different connectivity from the owner; no independently audited chemical identifier.
    retrieved on
    2026-10-08
C-8 O-methylation (database-annotated) is modeled to yield MgsJ product (MITE model) Modeled product only, not a direct exact-owner-producing edge.
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000328.json
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000328.json
    evidence type
    DATABASE_ASSERTION
    notes
    RDKit 2026.03.5 model product key TYTDEHCAAKKYOG-PJSZUTIQSA-N. Same connectivity as the owner, but not the same stereochemical key. The model specifies a tetrahedral center left undefined in the owner and omits three double-bond configurations. Neither representation fills the other; MITE marks this product as an intermediate. Three unspecified double bonds are not completed from the substrate.
    retrieved on
    2026-10-08

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

Causal graph — biosynthesis 2 nodes, 1 edge

Native-reference identity for Streptomyces platensis subsp. rosaceus NRRL 18993/taxon 684832, BGC0000177. Matching sequence references do not establish measured expression, an assay construct, enzyme activity, assembly or cofactor occupancy. No transfer to BGC0000083.

SubjectPredicateObjectNotesEvidence
ORF 11 CDS (GQ274953.1) encodes the native protein reference MgsK (NRRL 18993 native-reference example) Forward-strand 52125..53336; 1212-nt complete CDS including stop, 403 residues.
https://www.ncbi.nlm.nih.gov/nuccore/GQ274953.1
https://www.ncbi.nlm.nih.gov/protein/ACY01396.1
https://www.uniprot.org/uniprotkb/D0U2E9/entry
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000326.json
  • reference
    https://www.ncbi.nlm.nih.gov/nuccore/GQ274953.1
    evidence type
    DATABASE_ASSERTION
    notes
    GenBank assigns ACY01396.1 to ORF 11, with codon_start 1 and translation table 11.
    retrieved on
    2026-10-08
    snippet
    /note="ORF 11"
  • reference
    https://www.ncbi.nlm.nih.gov/protein/ACY01396.1
    evidence type
    DATABASE_ASSERTION
    notes
    GenPept maps the same native strain and protein to this GQ274953.1 CDS.
    retrieved on
    2026-10-08
  • reference
    https://www.uniprot.org/uniprotkb/D0U2E9/entry
    evidence type
    CURATOR_INFERENCE
    notes
    Unreviewed entry version 42, sequence version 1. CDS-aware translation, deposited translation, GenPept and UniProt agree over all 403 residues. No specific FUNCTION or CATALYTIC ACTIVITY comment; computational family/domain annotations do not establish native enzyme activity.
    retrieved on
    2026-10-08
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000326.json
    evidence type
    DATABASE_ASSERTION
    notes
    Active MITE0000326 version 1 maps MgsK to D0U2E9/ACY01396.1/BGC0000177. The deposited sequence records use ORF 11, not an explicit MgsK gene-name qualifier.
    retrieved on
    2026-10-08

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

Causal graph — biosynthesis 4 nodes, 3 edges

Partial database-annotated C-8 hydroxylation graph from MITE0000326 version 1. MITE classifies its evidence as Knock-out studies and cites DOI:10.1021/ja4002635; only that paper's abstract was inspected, and full-text access stopped at the publisher purchase notice. This is not an independently inspected primary experiment or verified substrate assay. Separate model reactions do not establish pathway order or a complete route. No modeled product is identified with the exact owner; its three double-bond configurations remain unspecified. Chemical and process nodes stay ungrounded, without invented ChEBI/Rhea identities.

SubjectPredicateObjectNotesEvidence
MgsK (NRRL 18993 native-reference example) is annotated to catalyze C-8 hydroxylation (database-annotated) Database reaction assignment, not a directly inspected enzyme assay or strict-specificity claim.
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000326.json
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000326.json
    evidence type
    DATABASE_ASSERTION
    notes
    Active MITE0000326 version 1 maps MgsK to D0U2E9/ACY01396.1/BGC0000177. The deposited sequence records use ORF 11, not an explicit MgsK gene-name qualifier. Reaction evidence is categorized by MITE as Knock-out studies; no measured rates, native assembly or cofactor specificity are adopted.
    retrieved on
    2026-10-08
    snippet
    C-8 hydroxylation of iso-migrastatin core structure
MgsK substrate (MITE model) is the modeled substrate of C-8 hydroxylation (database-annotated) Source model only; no independently verified assay substrate or reaction order.
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000326.json
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000326.json
    evidence type
    DATABASE_ASSERTION
    notes
    RDKit 2026.03.5 model substrate key IVFXTQLBVDABOI-LZOKNIEJSA-N. Different connectivity from the owner. It shares connectivity, but not the exact key, with 17-hydroxy-8-desmethoxy-isomigrastatin; its two ring double-bond configurations remain unspecified. That separate owner is linked to BGC0000083 and is not assigned these BGC0000177 proteins.
    retrieved on
    2026-10-08
C-8 hydroxylation (database-annotated) is modeled to yield MgsK product (MITE model) Modeled product only, not a direct exact-owner-producing edge.
https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000326.json
  • reference
    https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000326.json
    evidence type
    DATABASE_ASSERTION
    notes
    RDKit 2026.03.5 model product key BCGQJEGLKJUGLG-ZOSGKCGASA-N. Different connectivity from the owner. MITE marks it as an intermediate; no downstream conversion to the owner or to the MgsJ model is inferred. Three unspecified double bonds are not completed from the substrate.
    retrieved on
    2026-10-08

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

Explore across X-Mech

AntibioticMech (iso-migrastatin) ↗ MediaIngredientMech (naturalproductmech:mibig-e9562df516) ↗ TaxonMech: Streptomyces platensis subsp. rosaceus (NCBITaxon:684832) ↗ PathwayMech (mibig:BGC0000177) ↗

Provenance

Source conceptSourceVersion
BGC0000177MIBIG5

This page is generated from data/natural_products/alkaloids/iso-migrastatin.yaml, which is generated from the committed inventories. Neither is edited by hand.