CHEBI:176397 - Oxo-(pentenyl)cyclopentaneoctanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name Oxo-(pentenyl)cyclopentaneoctanoic acid
ChEBI ID CHEBI:176397
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H30O3
Net Charge 0
Average Mass 294.435
Monoisotopic Mass 294.21949
InChI InChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,15-16H,2,4-6,8-14H2,1H3,(H,20,21)/t15-,16-/m0/s1
InChIKey BZXZFDKIRZBJEP-HOTGVXAUSA-N
SMILES O=C1[C@H]([C@H](CC1)CCCCCCCC(O)=O)CC=CCC
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Oxo-(pentenyl)cyclopentaneoctanoic acid (CHEBI:176397) is a prostanoid (CHEBI:26347)
IUPAC Name
8-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]octanoic acid
Manual Xref Database
57524023 ChemSpider
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