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3-Hydroxydodecanoic acid (PC000276)

Record Information
Version1.0
Creation date2015-10-09 22:29:36 UTC
Update date2017-01-19 02:36:18 UTC
FoodComEx IDPC000276
FoodDB RecordFDB022005
Chemical Information
Name3-Hydroxydodecanoic acid
Description3-Hydroxydodecanoic acid is a medium-chain fatty acid associated with fatty acid metabolic disorders (PMID 11948802). Deficiency of medium-chain acyl-CoA dehydrogenase is characterized by intolerance to prolonged fasting, recurrent episodes of hypoglycemic coma with medium-chain dicarboxylic aciduria, impaired ketogenesis, and low plasma and tissue carnitine levels. (OMIM 201450) [HMDB]
CAS Number1883-13-2
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(RS)-3-Hydroxylauratehmdb
(RS)-3-Hydroxylauric acidhmdb
11:0(3-OH)HMDB
3-hydroxy-dodecanoatehmdb
3-hydroxy-dodecanoic acidhmdb
3-Hydroxydodecanoatehmdb
3-Hydroxydodecanoic acidhmdb
3-Hydroxylauratehmdb
3-Hydroxylauric acidhmdb
3-OH DodecanoateGenerator
3-OH Dodecanoic acidChEBI
3-OH LaateGenerator
3-OH Laic acidGenerator
3-OH Lauric acidChEBI
b-Hydroxydodecanoatehmdb
b-Hydroxydodecanoic acidhmdb
b-HydroxylaateGenerator
b-Hydroxylaic acidGenerator
b-Hydroxylauratehmdb
b-Hydroxylauric acidhmdb
b-OH DodecanoateGenerator
b-OH Dodecanoic acidGenerator
b-OH LaateGenerator
b-OH Laic acidGenerator
beta-hydroxydodecanoatehmdb
beta-hydroxydodecanoic acidhmdb
beta-HydroxylaateGenerator
beta-Hydroxylaic acidGenerator
beta-hydroxylauratehmdb
beta-hydroxylauric acidhmdb
beta-OH DodecanoateGenerator
beta-OH Dodecanoic acidChEBI
beta-OH LaateGenerator
beta-OH Laic acidGenerator
beta-OH Lauric acidChEBI
DL-b-Hydroxydodecanoatehmdb
DL-b-Hydroxydodecanoic acidhmdb
DL-beta-Hydroxydodecanoatehmdb
DL-beta-Hydroxydodecanoic acidhmdb
β-hydroxydodecanoateGenerator
β-hydroxydodecanoic acidGenerator
β-hydroxylaateGenerator
β-hydroxylaic acidGenerator
β-OH dodecanoateGenerator
β-OH dodecanoic acidGenerator
β-OH laateGenerator
β-OH laic acidGenerator
Chemical FormulaC12H24O3
IUPAC name3-hydroxydodecanoic acid
InChI IdentifierInChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
InChI KeyMUCMKTPAZLSKTL-UHFFFAOYSA-N
Isomeric SMILESCCCCCCCCCC(O)CC(O)=O
Average Molecular Weight216.3172
Monoisotopic Molecular Weight216.172544634
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassHydroxy acids and derivatives
Sub ClassMedium-chain hydroxy acids and derivatives
Direct ParentMedium-chain hydroxy acids and derivatives
Alternative Parents
Substituents
  • Medium-chain hydroxy acid
  • Medium-chain fatty acid
  • Beta-hydroxy acid
  • Hydroxy fatty acid
  • Fatty acyl
  • Fatty acid
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Alcohol
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 5 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Cayman Chemical 24642
Toronto Research Chemicals H943755