CHEBI:181862 - 9s,13r-12-Oxophytodienoic Acid

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ChEBI Name 9s,13r-12-Oxophytodienoic Acid
ChEBI ID CHEBI:181862
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H28O3
Net Charge 0
Average Mass 292.419
Monoisotopic Mass 292.20384
InChI InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16+/m0/s1
InChIKey PMTMAFAPLCGXGK-TTXFDSJOSA-N
SMILES O=C1[C@@H]([C@@H](CCCCCCCC(O)=O)C=C1)C/C=C\CC
Metabolite of Species Details
Ganoderma lucidum (NCBI:txid5315) Found in primordium (BTO:0001886). See: MetaboLights Study
Ganoderma lucidum (NCBI:txid5315) Found in fruit body (BTO:0000487). See: MetaboLights Study
ChEBI Ontology
Outgoing 9s,13r-12-Oxophytodienoic Acid (CHEBI:181862) is a prostanoid (CHEBI:26347)
IUPAC Name
8-[(1S,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
Manual Xrefs Databases
29341844 ChemSpider
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