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CHEBI:137495 - 13(R)-HODE

ChEBI IDCHEBI:137495
ChEBI Name13(R)-HODE
Stars
ASCII Name13(R)-HODE
DefinitionA 13-HODE in which the stereocentre at position 13 has S-configuration.
Last Modified22 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC18H32O3
Net Charge0
Average Mass296.451
Monoisotopic Mass296.23514
SMILESCCCCC[C@@H](O)/C=C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m1/s1
InChIKeyHNICUWMFWZBIFP-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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
13(R)-HODE (CHEBI:137495) is a 13-HODE (CHEBI:72639)
13(R)-HODE (CHEBI:137495) is conjugate acid of 13(R)-HODE(1−) (CHEBI:136655)
Incoming Relation(s)
13(R)-HODE(1−) (CHEBI:136655) is conjugate base of 13(R)-HODE (CHEBI:137495)
IUPAC Name 
(9Z,11E,13R)-13-hydroxyoctadeca-9,11-dienoic acid
Synonyms  Source
(13R)-hydroxy-(9Z,11E)-octadecadienoic acidChEBI
(13R)-HODEChEBI
(9Z,11E,13R)-13-hydroxyoctadecadienoic acidChEBI
Registry NumbersSources
Reaxys:4316130Reaxys
CAS:10219-69-9ChemIDplus