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CHEBI:165777 - 13S-HOTrE(gamma)

ChEBI IDCHEBI:165777
ChEBI Name13S-HOTrE(gamma)
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCCCCC[C@H](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+/t17-/m0/s1
InChIKeyHNBLUNXZQNJFRB-KYLWABQHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
13S-HOTrE(gamma) (CHEBI:165777) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Name 
(6Z,9Z,11E,13S)-13-hydroxyoctadeca-6,9,11-trienoic acid
Manual XrefsDatabases
4446098ChemSpider
LMFA02000173LIPID MAPS
Registry NumbersSources
CAS:74784-20-6ChemIDplus