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CHEBI:137132 - 8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid

ChEBI IDCHEBI:137132
ChEBI Name8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid
Stars
ASCII Name8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid
DefinitionAn 8-{3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}octanoic acid that has 1S,2S-configuration.
Last Modified16 May 2022
Submittermwilliams
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCC/C=C\C[C@@H]1C(=O)CC[C@@H]1CCCCCCCC(=O)O
InChIInChI=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)/b7-3-/t15-,16-/m0/s1
InChIKeyBZXZFDKIRZBJEP-JMTMCXQRSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) - PubMed (16663643)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid (CHEBI:137132) has role plant metabolite (CHEBI:76924)
8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid (CHEBI:137132) is a 8-{3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}octanoic acid (CHEBI:191853)
8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid (CHEBI:137132) is conjugate acid of 8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate (CHEBI:191855)
Incoming Relation(s)
8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate (CHEBI:191855) is conjugate base of 8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid (CHEBI:137132)
IUPAC Name 
8-{(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}octanoic acid
Synonyms  Source
(9S,13S)-10,11-dihydro-12-oxo-15-phytoenoic acidLIPID MAPS
(1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acidLIPID MAPS
8-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]octanoic acidKEGG COMPOUND
(1S,2S)-OPC8ChEBI
OPC-8:0KEGG COMPOUND
(1S,2S)-3-oxo-2-(2Z)-2-pentenyl-cyclopentaneoctanoic acidChEBI
Manual XrefsDatabases
LMFA02010007LIPID MAPS
C00000366KNApSAcK
C04780KEGG COMPOUND
FDB001433FooDB
Registry NumbersSources
CAS:204135-86-4KNApSAcK
Citations