CHEBI:49265 - 8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid
ChEBI ID CHEBI:49265
ChEBI ASCII Name 8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid
Definition A carbocyclic fatty acid that is octanoic (caprylic) acid substituted at position 8 by a 3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl group (the 1R,2R-diastereomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H30O3
Net Charge 0
Average Mass 294.42900
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)/b7-3-/t15-,16-/m1/s1
InChIKey BZXZFDKIRZBJEP-GTOOTHNYSA-N
SMILES CC\C=C/C[C@@H]1[C@H](CCCCCCCC(O)=O)CCC1=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid (CHEBI:49265) has functional parent octanoic acid (CHEBI:28837)
8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid (CHEBI:49265) is a carbocyclic fatty acid (CHEBI:35744)
8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid (CHEBI:49265) is a monounsaturated fatty acid (CHEBI:25413)
8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid (CHEBI:49265) is a oxo fatty acid (CHEBI:59644)
8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid (CHEBI:49265) is conjugate acid of 8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate (CHEBI:15720)
Incoming 8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate (CHEBI:15720) is conjugate base of 8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid (CHEBI:49265)
IUPAC Name
8-[(1R,2R)-3-oxo-2-{(2Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid
Synonyms Sources
(1R,2R)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid LIPID MAPS
(9R,13R)-10,11-dihydro-12-oxo-15-phytoenoic acid LIPID MAPS
OPC-8:0 MetaCyc
Manual Xrefs Databases
CPD-730 MetaCyc
LMFA02010006 LIPID MAPS
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Citation Waiting for Citations Type Source
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Last Modified
23 January 2014