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12-Hydroxydodecanoic acid (PC000649)

Record Information
Version1.0
Creation date2015-10-09 22:31:46 UTC
Update date2017-01-19 02:36:31 UTC
FoodComEx IDPC000649
FoodDB RecordFDB022822
Chemical Information
Name12-Hydroxydodecanoic acid
Description12-hydroxydodecanoic acid is the substrate of the human glutathione-dependent formaldehyde dehydrogenase (EC1.1.1.1) . The enzyme that catalyzes the conversion of alcohols to aldehydes is a zinc-containing dimeric enzyme responsible for the oxidation of long-chain alcohols and omega-hydroxy fatty acids. (OMIM) The human glutathione-dependent formaldehyde dehydrogenase is unique among the structurally studied members of the alcohol dehydrogenase family in that it follows a random bi kinetic mechanism forming a binary complex, and a ternary complex with NAD+. (PMID 12196016) [HMDB]
CAS Number505-95-3
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
12-Hydroxy laateGenerator
12-Hydroxy laic acidGenerator
12-Hydroxy lauric acidChEBI
12-Hydroxydodecanoatehmdb
12-Hydroxydodecanoic acidhmdb
12-Hydroxylauratehmdb
12-Hydroxylauric acidhmdb
2-Hydroxy-dodecanoateGenerator
2-Hydroxy-dodecanoic acidChEBI
omega hydroxy dodecanoatehmdb
omega hydroxy dodecanoic acidhmdb
Omega-hydroxy laateGenerator
Omega-hydroxy laic acidGenerator
Omega-hydroxy lauric acidChEBI
omega-Hydroxydodecanoatehmdb
omega-Hydroxydodecanoic acidhmdb
Omega-OH dodecanoateGenerator
Omega-OH dodecanoic acidChEBI
Omega-OH laateGenerator
Omega-OH laic acidGenerator
Omega-OH lauric acidChEBI
Chemical FormulaC12H24O3
IUPAC name12-hydroxydodecanoic acid
InChI IdentifierInChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
InChI KeyZDHCZVWCTKTBRY-UHFFFAOYSA-N
Isomeric SMILESOCCCCCCCCCCCC(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
  • Hydroxy fatty acid
  • Straight chain fatty acid
  • Fatty acyl
  • Fatty acid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Carbonyl group
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Organooxygen compound
  • Primary alcohol
  • Hydrocarbon derivative
  • 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 100 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
AKSci W6586
Toronto Research Chemicals H943775