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CHEBI:63216 - 5(S),8(R)-DiHODE

ChEBI IDCHEBI:63216
ChEBI Name5(S),8(R)-DiHODE
Stars
ASCII Name5(S),8(R)-DiHODE
DefinitionA dihydroxy monocarboxylic acid that is the (5S,8R)-dihydroxy derivative of linoleic acid.
Last Modified18 November 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCC/C=C\C/C=C\[C@H](O)CC[C@@H](O)CCCC(=O)O
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h6-7,9,11,16-17,19-20H,2-5,8,10,12-15H2,1H3,(H,21,22)/b7-6-,11-9-/t16-,17-/m0/s1
InChIKeyCVXOCQUHJDKXHR-JFKQHRMJSA-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)
5(S),8(R)-DiHODE (CHEBI:63216) has functional parent linoleic acid (CHEBI:17351)
5(S),8(R)-DiHODE (CHEBI:63216) is a dihydroxy monocarboxylic acid (CHEBI:35972)
5(S),8(R)-DiHODE (CHEBI:63216) is a octadecanoid (CHEBI:36326)
5(S),8(R)-DiHODE (CHEBI:63216) is conjugate acid of 5(S),8(R)-DiHODE(1−) (CHEBI:63217)
Incoming Relation(s)
5(S),8(R)-DiHODE(1−) (CHEBI:63217) is conjugate base of 5(S),8(R)-DiHODE (CHEBI:63216)
IUPAC Name 
(5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoic acid
Synonym  Source
(5S,8R)-5,8-dihydroxylinoleic acidChEBI
Citations