CHEBI:182711 - pacificanone A

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ChEBI Name pacificanone A
ChEBI ID CHEBI:182711
Definition A polyketide isolated from the marine actinomycete Salinispora pacifica.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O3
Net Charge 0
Average Mass 322.489
Monoisotopic Mass 322.25079
InChI InChI=1S/C20H34O3/c1-7-17-12-15(5)20(23,16(6)19(17)22)10-9-13(3)11-14(4)18(21)8-2/h9-11,14-18,21,23H,7-8,12H2,1-6H3/b10-9+,13-11+/t14-,15+,16+,17-,18+,20+/m0/s1
InChIKey JSPPQWVTDRBUIB-QYIUIDRUSA-N
SMILES CC[C@@H](O)[C@@H](C)\C=C(/C)\C=C\[C@@]1(O)[C@H](C)C[C@H](CC)C(=O)[C@H]1C
Metabolite of Species Details
Salinispora pacifica (NCBI:txid351187) Found in cell suspension culture (BTO:0000221). of strain CNS-237 See: PubMed
Roles Classification
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pacificanone A (CHEBI:182711) has role bacterial metabolite (CHEBI:76969)
pacificanone A (CHEBI:182711) has role marine metabolite (CHEBI:76507)
pacificanone A (CHEBI:182711) is a cyclohexanones (CHEBI:23482)
pacificanone A (CHEBI:182711) is a diol (CHEBI:23824)
pacificanone A (CHEBI:182711) is a olefinic compound (CHEBI:78840)
pacificanone A (CHEBI:182711) is a polyketide (CHEBI:26188)
IUPAC Name
(2S,3S,4R,6S)-6-ethyl-3-hydroxy-3-[(1E,3E,5S,6R)-6-hydroxy-3,5-dimethylocta-1,3-dien-1-yl]-2,4-dimethylcyclohexanone
Synonym Source
(−)-pacificanone A ChEBI
Manual Xrefs Databases
27023324 ChemSpider
C00039915 KNApSAcK
View more database links
Registry Number Type Source
1016901-16-8 CAS Registry Number KNApSAcK
Citations Waiting for Citations Types Sources
18321059 PubMed citation Europe PMC
25930739 PubMed citation Europe PMC
Last Modified
20 November 2023