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CHEBI:72625 - 9-HOTrE

ChEBI IDCHEBI:72625
ChEBI Name9-HOTrE
Stars
DefinitionA hydroxyoctadecatrienoic acid that consists of 10E,12Z,15Z-octadecatrienoic acid bearing an additional 9-hydroxy substituent.
Last Modified8 June 2016
Submittermwilliams
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCC/C=C\C/C=C\C=C\C(O)CCCCCCCC(=O)O
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+
InChIKeyRIGGEAZDTKMXSI-CUHSZNQNSA-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)
9-HOTrE (CHEBI:72625) has role metabolite (CHEBI:25212)
9-HOTrE (CHEBI:72625) is a HOTrE (CHEBI:72804)
9-HOTrE (CHEBI:72625) is a hydroxy fatty acid (CHEBI:24654)
9-HOTrE (CHEBI:72625) is conjugate acid of 9-HOTrE(1−) (CHEBI:77949)
Incoming Relation(s)
9(S)-HOTrE (CHEBI:80447) is a 9-HOTrE (CHEBI:72625)
9-HOTrE(1−) (CHEBI:77949) is conjugate base of 9-HOTrE (CHEBI:72625)
IUPAC Name 
(10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
Synonym  Source
9-hydroxy-10E,12Z,15Z-octadecatrienoic acidChEBI
Registry NumbersSources
Reaxys:2285133Reaxys