andalusicin A
naturalproductmech:mibig-1d37bf9b31 MINTED SEEDED
Structure
| Standard InChIKey | HNFCMZRTSDWBCX-FFVXNQHYSA-N |
|---|---|
| SMILES | C/C=C(\NC(=O)/C(=C\C)NC(=O)CNC(=O)C(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(C)NC1CC2(CSCC(C(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC2=O)NC(=O)C(C(C)CC)NC(=O)/C(=C/C)NC1=O)C(C)C)C(=O)N/C(=C/C)C(=O)NC(C(=O)N/C(=C/C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N/C(=C/C)C(=O)N/C(=C\C)C(=O)N/C(=C/C)C(=O)NC(C(=O)N/C(=C/C)C(=O)NC(C)C(=O)N(C)C)C(C)CC)C(C)C |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | npatlas:NPA033226 |
Filing pathway
Unclassified — 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 thuringiensis serovar andalousiensis NRRL B-23139 NCBITaxon:257985 |
BGC_CHARACTERIZED | mibig:BGC0002111 | PMID:34113822 |
Occurrences 1
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 |
|---|---|---|
| Bacillus thuringiensis NCBITaxon:1428 |
LOTUS | DOI:10.1016/J.ISCI.2021.102480 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0002111 | Bacillus thuringiensis serovar andalousiensis NRRL B-23139 NCBITaxon:257985 |
CLUSTER_DEMONSTRATED | genbank:CP035727.2 |
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 |
|---|---|---|
| BGC0002111 | MIBIG | 3 |
This page is generated from data/natural_products/unclassified/andalusicin-a.yaml, which is generated from the committed inventories. Neither is edited by hand.