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CHEBI:39573 - (13R)-HPODE

ChEBI IDCHEBI:39573
ChEBI Name(13R)-HPODE
Stars
ASCII Name(13R)-HPODE
DefinitionThe (R)-enantiomer of 13-HPODE
Last Modified20 March 2017
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
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)/b9-7-,15-12+/t17-/m1/s1
InChIKeyJDSRHVWSAMTSSN-PIHGWCCBSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
(13R)-HPODE (CHEBI:39573) has functional parent octadeca-9,11-dienoic acid (CHEBI:36025)
(13R)-HPODE (CHEBI:39573) is a 13-HPODE (CHEBI:91272)
(13R)-HPODE (CHEBI:39573) is conjugate acid of 13(R)-HPODE(1−) (CHEBI:133985)
(13R)-HPODE (CHEBI:39573) is enantiomer of 13(S)-HPODE (CHEBI:15655)
Incoming Relation(s)
13(R)-HPODE(1−) (CHEBI:133985) is conjugate base of (13R)-HPODE (CHEBI:39573)
13(S)-HPODE (CHEBI:15655) is enantiomer of (13R)-HPODE (CHEBI:39573)
IUPAC Name 
(9Z,11E,13R)-13-hydroperoxyoctadeca-9,11-dienoic acid
Synonym  Source
(9Z,11E,13R)-13-hydroperoxyoctadecadienoic acidChEBI
Manual XrefsDatabases
13RPDBeChem
Citations