EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:76615 - 3,18-dihydroxyoctadecanoate

ChEBI IDCHEBI:76615
ChEBI Name3,18-dihydroxyoctadecanoate
Stars
DefinitionAn ω-hydroxy fatty acid anion that is the conjugate base of 3,18-dihydroxyoctadecano (3,18-dihydroxystearic acid), obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified23 January 2023
Submitterlaimo
DownloadsMolfile
FormulaC18H35O4
Net Charge-1
Average Mass315.474
Monoisotopic Mass315.25408
SMILESO=C([O-])CC(O)CCCCCCCCCCCCCCCO
InChIInChI=1S/C18H36O4/c19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17(20)16-18(21)22/h17,19-20H,1-16H2,(H,21,22)/p-1
InChIKeyWDMZPXGZMRNVCD-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3,18-dihydroxyoctadecanoate (CHEBI:76615) has functional parent octadecanoate (CHEBI:25629)
3,18-dihydroxyoctadecanoate (CHEBI:76615) is a ω-hydroxy-long-chain fatty acid anion (CHEBI:140992)
3,18-dihydroxyoctadecanoate (CHEBI:76615) is conjugate base of 3,18-dihydroxyoctadecanoic acid (CHEBI:76933)
Incoming Relation(s)
3,18-dihydroxyoctadecanoic acid (CHEBI:76933) is conjugate acid of 3,18-dihydroxyoctadecanoate (CHEBI:76615)
IUPAC Name 
3,18-dihydroxyoctadecanoate
Synonyms  Source
3,18-OH-C18:0(1−)SUBMITTER
β,ω-dihydroxyoctadecanoateSUBMITTER
β,ω-dihydroxystearateChEBI
3,18-dihydroxystearateChEBI
UniProt Name  Source
3,18-dihydroxyoctadecanoateUniProt