EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:58797 - (S,S)-9,10-dihydroxyoctadecanoate

ChEBI IDCHEBI:58797
ChEBI Name(S,S)-9,10-dihydroxyoctadecanoate
Stars
ASCII Name(S,S)-9,10-dihydroxyoctadecanoate
DefinitionA hydroxy fatty acid anion that is the conjugate base of (S,S)-9,10-dihydroxyoctadecanoic acid.
Last Modified8 March 2017
DownloadsMolfile
FormulaC18H35O4
Net Charge-1
Average Mass315.474
Monoisotopic Mass315.25408
SMILESCCCCCCCC[C@H](O)[C@@H](O)CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/p-1/t16-,17-/m0/s1
InChIKeyVACHUYIREGFMSP-IRXDYDNUSA-M
ChEBI Ontology
Outgoing Relation(s)
(S,S)-9,10-dihydroxyoctadecanoate (CHEBI:58797) is a hydroxy fatty acid anion (CHEBI:59835)
(S,S)-9,10-dihydroxyoctadecanoate (CHEBI:58797) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
(S,S)-9,10-dihydroxyoctadecanoate (CHEBI:58797) is conjugate base of (S,S)-9,10-dihydroxyoctadecanoic acid (CHEBI:49254)
Incoming Relation(s)
(S,S)-9,10-dihydroxyoctadecanoic acid (CHEBI:49254) is conjugate acid of (S,S)-9,10-dihydroxyoctadecanoate (CHEBI:58797)
IUPAC Name 
(9S,10S)-9,10-dihydroxyoctadecanoate
Synonym  Source
(9S,10S)-9,10-dihydroxystearateChEBI
UniProt Name  Source
(9S,10S)-9,10-dihydroxyoctadecanoateUniProt