calicheamicin
naturalproductmech:mibig-06ee60b602 MINTED SEEDED
Structure
| Standard InChIKey | HXCHCVDVKSCDHU-IXTZGUNISA-N |
|---|---|
| SMILES | CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](OC2O[C@H]3C#C/C=C\C#C[C@]\4(CC(=O)C(=C3/C4=C\CSSSC)NC(=O)OC)O)C)NO[C@H]5C[C@@H]([C@@H]([C@H](O5)C)SC(=O)C6=C(C(=C(C(=C6OC)OC)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)OC)O)I)C)O)O |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | pubchem:6438329 |
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 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 |
|---|---|---|---|
| Micromonospora echinospora NCBITaxon:1877 |
SOURCE_ASSERTION | mibig:BGC0000033 | DOI:10.1126/science.1072105 |
Occurrences 0
None cited.
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000033 | Micromonospora echinospora NCBITaxon:1877 |
CLUSTER_UNSTATED | genbank:AF497482.1 |
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 |
|---|---|---|
| BGC0000033 | MIBIG | 5 |
This page is generated from data/natural_products/polyketides/calicheamicin.yaml, which is generated from the committed inventories. Neither is edited by hand.