EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57468 - 7(S),8(S)-DiHODE(1−)

ChEBI IDCHEBI:57468
ChEBI Name7(S),8(S)-DiHODE(1−)
Stars
ASCII Name7(S),8(S)-DiHODE(1-)
DefinitionConjugate base of 7(S),8(S)-DiHODE arising from deprotonation of the carboxylic acid function.
Last Modified6 June 2016
DownloadsMolfile
FormulaC18H31O4
Net Charge-1
Average Mass311.442
Monoisotopic Mass311.22278
SMILESCCCCC/C=C\C/C=C\[C@H](O)[C@@H](O)CCCCCC(=O)[O-]
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h6-7,10,13,16-17,19-20H,2-5,8-9,11-12,14-15H2,1H3,(H,21,22)/p-1/b7-6-,13-10-/t16-,17-/m0/s1
InChIKeyNMONGVDUESEHOK-MPOZZNMKSA-M
ChEBI Ontology
Outgoing Relation(s)
7(S),8(S)-DiHODE(1−) (CHEBI:57468) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
7(S),8(S)-DiHODE(1−) (CHEBI:57468) is a octadecanoid anion (CHEBI:131860)
7(S),8(S)-DiHODE(1−) (CHEBI:57468) is conjugate base of 7(S),8(S)-DiHODE (CHEBI:15658)
Incoming Relation(s)
7(S),8(S)-DiHODE (CHEBI:15658) is conjugate acid of 7(S),8(S)-DiHODE(1−) (CHEBI:57468)
IUPAC Name 
(7S,8S,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoate
Synonym  Source
7(S),8(S)-DiHODE anionChEBI
UniProt Name  Source
(7S,8S,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoateUniProt
Citations