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CHEBI:72641 - 13-HOTrE

ChEBI IDCHEBI:72641
ChEBI Name13-HOTrE
Stars
DefinitionA hydroxyoctadecatrienoic acid that consists of 9Z,11E,15Z-octadecatrienoic acid bearing an additional 13-hydroxy substituent.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCC/C=C\CC(O)/C=C/C=C\CCCCCCCC(=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/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+
InChIKeyKLLGGGQNRTVBSU-JDTPQGGVSA-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-HOTrE (CHEBI:72641) is a HOTrE (CHEBI:72804)
13-HOTrE (CHEBI:72641) is a hydroxy fatty acid (CHEBI:24654)
Incoming Relation(s)
13(S)-HOTrE (CHEBI:84441) is a 13-HOTrE (CHEBI:72641)
IUPAC Name 
(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
Synonyms  Source
13-hydroxy-9Z,11E,15Z-octadecatrienoic acidChEBI
13-HOTELIPID MAPS
13-OH-9Z,11E,15Z-octadecatrienoic acidLIPID MAPS
Manual XrefsDatabases
LMFA02000029LIPID MAPS
HMDB0010203HMDB
Registry NumbersSources
Reaxys:2648272Reaxys