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CHEBI:165762 - 7S,8S-DiHOTrE

ChEBI IDCHEBI:165762
ChEBI Name7S,8S-DiHOTrE
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O4
Net Charge0
Average Mass310.434
Monoisotopic Mass310.21441
SMILESCC/C=C\C/C=C\C/C=C\[C@H](O)[C@@H](O)CCCCCC(=O)O
InChIInChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h3-4,6-7,10,13,16-17,19-20H,2,5,8-9,11-12,14-15H2,1H3,(H,21,22)/b4-3-,7-6-,13-10-/t16-,17-/m0/s1
InChIKeyVWKNCZXDXPBMJN-PODPQGHUSA-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)
7S,8S-DiHOTrE (CHEBI:165762) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Name 
(7S,8S,9Z,12Z,15Z)-7,8-dihydroxyoctadeca-9,12,15-trienoic acid
Manual XrefsDatabases
LMFA02000226LIPID MAPS
17220719ChemSpider