yersiniabactin

naturalproductmech:mibig-66a349ed2d 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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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 InChIKey	CARQCAHMXWHUIE-NRMQOZBLSA-N
SMILES	C[C@@]1(CSC(=N1)C(C)(C)[C@@H]([C@@H]2CSC(N2)[C@H]3CS/C(=C/4\C=CC=CC4=O)/N3)O)C(=O)O
Stereochemistry	undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers
Cross-references	pubchem:5462519

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 nrps, 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.

Taxon	Basis	Cluster	Evidence
Escherichia coli Strain: A0 34/86 NCBITaxon:562	SOURCE_ASSERTION	mibig:BGC0001055	PMID:17049458, https://www.ebi.ac.uk/ena/browser/view/AM236324.1 reference PMID:17049458 evidence type DATABASE_ASSERTION notes MIBiG BGC0001055 entry version 5; citation taken from the entry level reference https://www.ebi.ac.uk/ena/browser/view/AM236324.1 evidence type CURATOR_INFERENCE notes Strain context: A0 34/86. The AM236324.1 source feature identifies strain A0 34/86, also named by PMID17049458. This preserves source context without inferring chemical detection from the comparative-genomics paper. See issue #900. Taxon identity and evidence grade are unchanged; this is not a species-wide experiment. MIBiG source row BGC0001055:1; SHA256 a71f2d435edd118f82c4d4330aec4ad42001d697e71d512942cbf35293853d42. Curator: codex; date: 2026-10-13.

Occurrences 4

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.

Taxon	Source	Reference
Yersinia enterocolitica NCBITaxon:630	LOTUS	DOI:10.1002/JLAC.1995199510243
Yersinia enterocolitica NCBITaxon:630	LOTUS	DOI:10.1016/S0040-4020(01)00012-6
Yersinia enterocolitica NCBITaxon:630	LOTUS	DOI:10.1099/00221287-139-9-2159
Escherichia coli NCBITaxon:562	LOTUS	DOI:10.1016/J.IJMM.2006.06.007

Biosynthetic gene clusters 1

Accession	Host	Locus evidence	Genome
mibig:BGC0001055	Escherichia coli NCBITaxon:562	CLUSTER_UNSTATED	genbank:AM236324.1

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

Explore across X-Mech

AntibioticMech (yersiniabactin) ↗ MediaIngredientMech (naturalproductmech:mibig-66a349ed2d) ↗ TaxonMech: Escherichia coli (NCBITaxon:562) ↗ PathwayMech (mibig:BGC0001055) ↗

Open questions 1

curator-ecoli-occurrence-evidence-hold — Does the cited comparative-genomics study directly detect this yersiniabactin form in Escherichia coli A0 34/86?

Provenance

Source concept	Source	Version
BGC0001055	MIBIG	5

This page is generated from data/natural_products/alkaloids/yersiniabactin-2.yaml, which is generated from the committed inventories. Neither is edited by hand.