calyculinamide A
naturalproductmech:mibig-8ea4588d64 MINTED SEEDED
Structure
| Standard InChIKey | GTJWBKWRZBNEEQ-NVWSLSKVSA-N |
|---|---|
| SMILES | C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)/C=C(\C)/C(=C/C=C/C(=C/C(=O)N)/C)/C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C/C=C/C3=COC(=N3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O |
| Stereochemistry | fully defined |
| Cross-references | pubchem:10011292 |
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 2
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 |
|---|---|---|
| Lamellomorpha strongylata NCBITaxon:1336867 |
LOTUS | DOI:10.1021/JO961745J |
| Discodermia calyx NCBITaxon:1451276 |
LOTUS | DOI:10.1021/JO9740251 |
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/calyculinamide-a.yaml, which is generated from the committed inventories. Neither is edited by hand.