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CHEBI:76933 - 3,18-dihydroxyoctadecanoic acid

ChEBI IDCHEBI:76933
ChEBI Name3,18-dihydroxyoctadecanoic acid
Stars
DefinitionA dihydroxy monocarboxylic acid that consists of octadecanoic (stearic) acid bearing two hydroxy substituents at positions 3 and 18.
Last Modified24 January 2023
SubmitterSteve
DownloadsMolfile
FormulaC18H36O4
Net Charge0
Average Mass316.482
Monoisotopic Mass316.26136
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)
InChIKeyWDMZPXGZMRNVCD-UHFFFAOYSA-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)
3,18-dihydroxyoctadecanoic acid (CHEBI:76933) is a 3-hydroxy fatty acid (CHEBI:59845)
3,18-dihydroxyoctadecanoic acid (CHEBI:76933) is a dihydroxy monocarboxylic acid (CHEBI:35972)
3,18-dihydroxyoctadecanoic acid (CHEBI:76933) is a hydroxyoctadecanoic acid (CHEBI:24747)
3,18-dihydroxyoctadecanoic acid (CHEBI:76933) is a ω-hydroxy-long-chain fatty acid (CHEBI:140997)
3,18-dihydroxyoctadecanoic acid (CHEBI:76933) is conjugate acid of 3,18-dihydroxyoctadecanoate (CHEBI:76615)
Incoming Relation(s)
3,18-dihydroxyoctadecanoate (CHEBI:76615) is conjugate base of 3,18-dihydroxyoctadecanoic acid (CHEBI:76933)
IUPAC Name 
3,18-dihydroxyoctadecanoic acid
Synonyms  Source
β,ω-dihydroxyoctadecanoic acidChEBI
β,ω-dihydroxystearic acidChEBI
3,18-dihydroxystearic acidChEBI