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CHEBI:72808 - 13-hydroxy-6Z,9Z,11E-octadecatrienoic acid

ChEBI IDCHEBI:72808
ChEBI Name13-hydroxy-6Z,9Z,11E-octadecatrienoic acid
Stars
ASCII Name13-hydroxy-6Z,9Z,11E-octadecatrienoic acid
DefinitionA hydroxyoctadecatrienoic acid that consists of 6Z,9Z,11E-octadecatrienoic acid having the hydroxy group located at position 13.
Last Modified16 April 2013
Submittermwilliams
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCCCCCC(O)/C=C/C=C\C/C=C\CCCCC(=O)O
InChIInChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h4,6-7,9,12,15,17,19H,2-3,5,8,10-11,13-14,16H2,1H3,(H,20,21)/b6-4-,9-7-,15-12+
InChIKeyHNBLUNXZQNJFRB-YSHIPJNPSA-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 Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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-hydroxy-6Z,9Z,11E-octadecatrienoic acid (CHEBI:72808) has role metabolite (CHEBI:25212)
13-hydroxy-6Z,9Z,11E-octadecatrienoic acid (CHEBI:72808) is a HOTrE (CHEBI:72804)
IUPAC Name 
(6Z,9Z,11E)-13-hydroxyoctadeca-6,9,11-trienoic acid
Synonym  Source
13-HOTrE(γ)ChEBI
Registry NumbersSources
Reaxys:15525483Reaxys