phosphocalyculin A
naturalproductmech:mibig-93eec4abe8 MINTED SEEDED
Structure
| Standard InChIKey | VURQSRZHWNCHNU-CNTALBEGSA-N |
|---|---|
| SMILES | COC[C@H](N(C)C)[C@H](O)[C@H](O)C(NCC[C@H](C)C1=NC(/C=C/C[C@H]2[C@@H](C)[C@H](O)CC3(C(C)(C)[C@@H](OP(O)(OP(O)(O)=O)=O)[C@@H]([C@@H](OC)C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C\[N+]#[C-])O3)O2)=CO1)=O |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
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 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 |
|---|---|---|---|
| uncultured Candidatus Entotheonella sp. NCBITaxon:312019 |
SOURCE_ASSERTION | mibig:BGC0000967 | PMID:24974231 |
Occurrences 0
None cited.
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000967 | uncultured Candidatus Entotheonella sp. NCBITaxon:312019 |
CLUSTER_DEMONSTRATED | genbank:AB933566.1 |
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.
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0000967 | MIBIG | 5 |
This page is generated from data/natural_products/polyketides/phosphocalyculin-a.yaml, which is generated from the committed inventories. Neither is edited by hand.