5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate
CHEBI:30939 EXACT SEEDED
The 5α,9α,10β-diastereomer of copalyl diphosphate.
Structure
| Standard InChIKey | JCAIWDXKLCEQEO-ATPOGHATSA-N |
|---|---|
| SMILES | C/C(=C\COP(=O)(O)OP(=O)(O)O)/CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCCC2(C)C)C |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | pubchem:5281990 |
Filing pathway
Terpenoids — 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, 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 |
|---|---|---|---|
| Diaporthe amygdali NCBITaxon:1214568 |
SOURCE_ASSERTION | mibig:BGC0000688 | PMID:18391465 |
Occurrences 0
None cited.
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000688 | Diaporthe amygdali NCBITaxon:1214568 |
CLUSTER_UNSTATED | genbank:AB254160.1 |
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
name-disagreement — ChEBI calls this structure '5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate' and MIBiG calls it 'copalyl diphosphate'. They share a Standard InChIKey, so if the names denote different compounds then one upstream record has the wrong structure. Check which.
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0000688 | MIBIG | 4 |
| CHEBI:30939 | CHEBI | 3-star |
This page is generated from data/natural_products/terpenoids/5-9-10-labda-8-20-13-dien-15-yl-diphosphate.yaml, which is generated from the committed inventories. Neither is edited by hand.