emericellamide A
CHEBI:64373 EXACT SEEDED
An emericellamide derived from N-[(2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoyl]glycyl-L-valyl-L-leucyl-L-alanyl-L-alanine by the formal intramolecular condensation of the alcoholic hydroxy group with the C-terminal carboxylic acid group.
Structure
| Standard InChIKey | QURRTAYEASAREY-OOVPVTRWSA-N |
|---|---|
| SMILES | CCCCCC[C@H](C)[C@H]1OC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1C)C(C)C |
| Stereochemistry | fully defined |
| Cross-references | pubchem:16216151, npatlas:NPA018260 |
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 nrps, 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 |
|---|---|---|---|
| Aspergillus nidulans FGSC A4 NCBITaxon:227321 |
SOURCE_ASSERTION | mibig:BGC0001290 | DOI:10.1016/j.tetasy.2013.07.012 |
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 |
|---|---|---|
| Salinispora arenicola NCBITaxon:168697 |
LOTUS | DOI:10.1021/NP0705155 |
| Emericella NCBITaxon:5052 |
LOTUS | DOI:10.1021/NP060381F |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001290 | Aspergillus nidulans FGSC A4 NCBITaxon:227321 |
CLUSTER_UNSTATED | genbank:BN001307.1 |
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 |
|---|---|---|
| BGC0001290 | MIBIG | 4 |
| CHEBI:64373 | CHEBI | 3-star |
This page is generated from data/natural_products/unclassified/emericellamide-a.yaml, which is generated from the committed inventories. Neither is edited by hand.