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CHEBI:50578 - 3-hydroxyoctadecanoic acid

ChEBI IDCHEBI:50578
ChEBI Name3-hydroxyoctadecanoic acid
Stars
Last Modified23 March 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H36O3
Net Charge0
Average Mass300.483
Monoisotopic Mass300.26645
SMILESCCCCCCCCCCCCCCCC(O)CC(=O)O
InChIInChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKeyPOMQYTSPMKEQNB-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-hydroxyoctadecanoic acid (CHEBI:50578) is a 3-hydroxy monocarboxylic acid (CHEBI:35969)
3-hydroxyoctadecanoic acid (CHEBI:50578) is a hydroxyoctadecanoic acid (CHEBI:24747)
3-hydroxyoctadecanoic acid (CHEBI:50578) is conjugate acid of 3-hydroxyoctadecanoate (CHEBI:76614)
Incoming Relation(s)
3-hydroxyoctadecanoyl-CoA (CHEBI:50583) has functional parent 3-hydroxyoctadecanoic acid (CHEBI:50578)
(R)-3-hydroxyoctadecanoic acid (CHEBI:145205) is a 3-hydroxyoctadecanoic acid (CHEBI:50578)
(S)-3-hydroxyoctadecanoic acid (CHEBI:50579) is a 3-hydroxyoctadecanoic acid (CHEBI:50578)
3-hydroxyoctadecanoate (CHEBI:76614) is conjugate base of 3-hydroxyoctadecanoic acid (CHEBI:50578)
IUPAC Name 
3-hydroxyoctadecanoic acid
Synonym  Source
3-hydroxystearic acidChEBI
Manual XrefsDatabases
LMFA01050055LIPID MAPS
Registry NumbersSources
Beilstein:1791497Beilstein
CAS:17773-30-7ChemIDplus