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CHEBI:19660 - 2-hydroxyoctadecanoic acid

ChEBI IDCHEBI:19660
ChEBI Name2-hydroxyoctadecanoic acid
Stars
DefinitionA long-chain fatty acid that is stearic (octadecanoic) acid substituted at position 2 by a hydroxy group.
Last Modified23 March 2017
DownloadsMolfile
FormulaC18H36O3
Net Charge0
Average Mass300.483
Monoisotopic Mass300.26645
SMILESCCCCCCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKeyKIHBGTRZFAVZRV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (13661981)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyoctadecanoic acid (CHEBI:19660) has role human metabolite (CHEBI:77746)
2-hydroxyoctadecanoic acid (CHEBI:19660) is a 2-hydroxy fatty acid (CHEBI:10283)
2-hydroxyoctadecanoic acid (CHEBI:19660) is a hydroxyoctadecanoic acid (CHEBI:24747)
2-hydroxyoctadecanoic acid (CHEBI:19660) is conjugate acid of 2-hydroxyoctadecanoate (CHEBI:76724)
Incoming Relation(s)
N-2-hydroxystearoylsphingosine (CHEBI:76754) has functional parent 2-hydroxyoctadecanoic acid (CHEBI:19660)
2-hydroxystearoyl-CoA (CHEBI:74138) has functional parent 2-hydroxyoctadecanoic acid (CHEBI:19660)
N-(2R-hydroxyoctadecanoyl)-4E,8Z-octadecasphingadienine (CHEBI:189685) has functional parent 2-hydroxyoctadecanoic acid (CHEBI:19660)
(R)-2-hydroxyoctadecanoic acid (CHEBI:15913) is a 2-hydroxyoctadecanoic acid (CHEBI:19660)
(S)-2-hydroxyoctadecanoic acid (CHEBI:18129) is a 2-hydroxyoctadecanoic acid (CHEBI:19660)
2-hydroxyoctadecanoate (CHEBI:76724) is conjugate base of 2-hydroxyoctadecanoic acid (CHEBI:19660)
IUPAC Name 
2-hydroxyoctadecanoic acid
Synonyms  Source
α-hydroxystearic acidChEBI
α-hydroxyoctadecanoic acidChEBI
2-hydroxystearic acidChEBI
Manual XrefsDatabases
LMFA02000120LIPID MAPS
Registry NumbersSources
Reaxys:1791479Reaxys
CAS:629-22-1ChemIDplus
Citations