CHEBI:39567 - 12-hydroxylauric acid

ChEBI IDCHEBI:39567
ChEBI Name12-hydroxylauric acid
Stars
DefinitionA medium-chain fatty acid that is the 12-hydroxylated derivative of lauric acid.
Secondary ChEBI IDsCHEBI:10616, CHEBI:39557
Last Modified24 January 2023
DownloadsMolfile
FormulaC12H24O3
Net Charge0
Average Mass216.321
Monoisotopic Mass216.17254
SMILESO=C(O)CCCCCCCCCCCO
InChIInChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
InChIKeyZDHCZVWCTKTBRY-UHFFFAOYSA-N
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)
12-hydroxylauric acid (CHEBI:39567) has functional parent dodecanoic acid (CHEBI:30805)
12-hydroxylauric acid (CHEBI:39567) has role human metabolite (CHEBI:77746)
12-hydroxylauric acid (CHEBI:39567) is a ω-hydroxy-medium-chain fatty acid (CHEBI:194303)
12-hydroxylauric acid (CHEBI:39567) is conjugate acid of 12-hydroxylaurate (CHEBI:36204)
Incoming Relation(s)
(3R)-3,12-dihydroxylauric acid (CHEBI:79278) has functional parent 12-hydroxylauric acid (CHEBI:39567)
oscr#20 (CHEBI:79142) has functional parent 12-hydroxylauric acid (CHEBI:39567)
12-hydroxylaurate (CHEBI:36204) is conjugate base of 12-hydroxylauric acid (CHEBI:39567)
IUPAC Name 
12-hydroxydodecanoic acid
Synonyms  Source
omega-Hydroxydodecanoic acidKEGG COMPOUND
12-Hydroxydodecanoic acidKEGG COMPOUND
2-hydroxy-dodecanoic acidLIPID MAPS
12-hydroxy lauric acidLIPID MAPS
12-HYDROXYDODECANOIC ACIDPDBeChem
ω-hydroxy lauric acidChEBI
Manual XrefsDatabases
C08317KEGG COMPOUND
12HPDBeChem
LMFA01050039LIPID MAPS
DB03704DrugBank
HMDB0002059HMDB
C00001219KNApSAcK
Registry NumbersSources
Beilstein:1238370Beilstein
Reaxys:1238370Reaxys
CAS:505-95-3KEGG COMPOUND
CAS:505-95-3ChemIDplus
CAS:505-95-3NIST Chemistry WebBook
Citations