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CHEBI:63217 - 5(S),8(R)-DiHODE(1−)

ChEBI IDCHEBI:63217
ChEBI Name5(S),8(R)-DiHODE(1−)
Stars
ASCII Name5(S),8(R)-DiHODE(1-)
DefinitionA monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 5(S),8(R)-DiHODE. The major species at pH 7.3.
Last Modified6 June 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H31O4
Net Charge-1
Average Mass311.442
Monoisotopic Mass311.22278
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)/p-1/b7-6-,11-9-/t16-,17-/m0/s1
InChIKeyCVXOCQUHJDKXHR-JFKQHRMJSA-M
ChEBI Ontology
Outgoing Relation(s)
5(S),8(R)-DiHODE(1−) (CHEBI:63217) is a monocarboxylic acid anion (CHEBI:35757)
5(S),8(R)-DiHODE(1−) (CHEBI:63217) is a octadecanoid anion (CHEBI:131860)
5(S),8(R)-DiHODE(1−) (CHEBI:63217) is conjugate base of 5(S),8(R)-DiHODE (CHEBI:63216)
Incoming Relation(s)
5(S),8(R)-DiHODE (CHEBI:63216) is conjugate acid of 5(S),8(R)-DiHODE(1−) (CHEBI:63217)
IUPAC Name 
(5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoate
UniProt Name  Source
(5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoateUniProt
Citations