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CHEBI:139085 - (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid

ChEBI IDCHEBI:139085
ChEBI Name(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid
Stars
ASCII Name(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid
DefinitionA carbocyclic fatty acid that is hexanoic acid substituted at position 6 by a 3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl group.
Last Modified20 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC16H26O3
Net Charge0
Average Mass266.381
Monoisotopic Mass266.18819
SMILESCC/C=C\C[C@H]1C(=O)CC[C@H]1CCCCCC(=O)O
InChIInChI=1S/C16H26O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,13-14H,2,4,6-12H2,1H3,(H,18,19)/b5-3-/t13-,14-/m1/s1
InChIKeyWIJWBOWLVOOYFR-BDSSXFGHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid (CHEBI:139085) has functional parent hexanoic acid (CHEBI:30776)
(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid (CHEBI:139085) is a carbocyclic fatty acid (CHEBI:35744)
(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid (CHEBI:139085) is a cyclopentanones (CHEBI:36140)
(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid (CHEBI:139085) is a monounsaturated fatty acid (CHEBI:25413)
(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid (CHEBI:139085) is a oxo fatty acid (CHEBI:59644)
(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid (CHEBI:139085) is conjugate acid of (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoate (CHEBI:138430)
Incoming Relation(s)
(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoate (CHEBI:138430) is conjugate base of (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid (CHEBI:139085)
IUPAC Name 
6-{(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}hexanoic acid
Synonyms  Source
OPC-6ChEBI
OPC-6:0ChEBI
Citations