ambiguine I isonitrile
naturalproductmech:mibig-3c897b35f6 MINTED SEEDED
Structure
| Standard InChIKey | RVIIZRJMWFSNER-BDOGLJFWSA-N |
|---|---|
| SMILES | [H][C@]12CC[C@@](C)(C=C)[C@]3([N+]#[C-])[C@@H]4O[C@@H]4C(C)(C)C4=C(C5=C(C=CC=C5N4)C1(C)C)[C@@]23O |
| Stereochemistry | fully defined |
| Cross-references | npatlas:NPA0900, CHEBI:65401 |
Filing pathway
Alkaloids — 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 terpene, other, 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 |
|---|---|---|---|
| Fischerella ambigua UTEX 1903 NCBITaxon:230521 |
SOURCE_ASSERTION | mibig:BGC0001126 | PMID:24180436 |
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 |
|---|---|---|
| Fischerella NCBITaxon:1190 |
LOTUS | DOI:10.1021/NP060495R |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001126 | Fischerella ambigua UTEX 1903 NCBITaxon:230521 |
CLUSTER_DEMONSTRATED | genbank:KF664586.1 |
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.
Open questions 1
structure-disagreement — MIBiG cross-references this compound to CHEBI:65401, but ChEBI holds CHEBI:65401 with Standard InChIKey RVIIZRJMWFSNER-LJCLWVHTSA-N and this record's structure is RVIIZRJMWFSNER-BDOGLJFWSA-N. The skeleton blocks match, so the two disagree about stereochemistry: check which configuration the primary literature supports.
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0001126 | MIBIG | 4 |
This page is generated from data/natural_products/alkaloids/ambiguine-i-isonitrile.yaml, which is generated from the committed inventories. Neither is edited by hand.