thiocillin I
naturalproductmech:mibig-7fe57fd9ee MINTED SEEDED
Structure
| Standard InChIKey | FEORQDDAQBRWPT-NBBXXHIDSA-N |
|---|---|
| SMILES | C/C=C/1\C2=NC(=CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C7=NC(=CS7)C(=O)N/C(=C/C)/C(=O)NCC(C)O)C8=NC(=CS8)C(=O)NC(C(=O)N1)C(C)O)C(C)O)C(C)(C)O |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | pubchem:6446118 |
Filing pathway
Amino acids and peptides — 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 ribosomal, 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 |
|---|---|---|---|
| Bacillus cereus ATCC 14579 NCBITaxon:226900 |
BGC_CHARACTERIZED | mibig:BGC0000612 | PMID:19196969 |
Occurrences 0
None cited.
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000612 | Bacillus cereus ATCC 14579 NCBITaxon:226900 |
CLUSTER_DEMONSTRATED | genbank:AE016877.1 |
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 |
|---|---|---|
| BGC0000612 | MIBIG | 4 |
This page is generated from data/natural_products/amino_acids_and_peptides/thiocillin-i.yaml, which is generated from the committed inventories. Neither is edited by hand.