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CHEBI:133985 - 13(R)-HPODE(1−)

ChEBI IDCHEBI:133985
ChEBI Name13(R)-HPODE(1−)
Stars
ASCII Name13(R)-HPODE(1-)
DefinitionA 13-HPODE(1−) that is the conjugate base of 13(R)-HPODE, obtained by deprotonation of the carboxylic acid function. Major microspecies at pH 7.3.
Last Modified21 March 2017
SubmitterAnne Morgat
DownloadsMolfile
FormulaC18H31O4
Net Charge-1
Average Mass311.442
Monoisotopic Mass311.22278
SMILESCCCCC[C@H](/C=C/C=C\CCCCCCCC(=O)[O-])OO
InChIInChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/p-1/b9-7-,15-12+/t17-/m1/s1
InChIKeyJDSRHVWSAMTSSN-PIHGWCCBSA-M
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
13(R)-HPODE(1−) (CHEBI:133985) is a 13-HPODE(1−) (CHEBI:90823)
13(R)-HPODE(1−) (CHEBI:133985) is conjugate base of (13R)-HPODE (CHEBI:39573)
13(R)-HPODE(1−) (CHEBI:133985) is enantiomer of 13(S)-HPODE(1−) (CHEBI:57466)
Incoming Relation(s)
(13R)-HPODE (CHEBI:39573) is conjugate acid of 13(R)-HPODE(1−) (CHEBI:133985)
13(S)-HPODE(1−) (CHEBI:57466) is enantiomer of 13(R)-HPODE(1−) (CHEBI:133985)
IUPAC Name 
(9Z,11E,13R)-13-hydroperoxyoctadeca-9,11-dienoate
Synonym  Source
(9Z,11E,13R)-13-hydroperoxyoctadecadienoateChEBI
UniProt Name  Source
(13R)-hydroperoxy-(9Z,11E)-octadecadienoateUniProt