Record Information
Version1.0
Creation date2015-10-09 22:27:45 UTC
Update date2017-01-19 02:36:11 UTC
FoodComEx IDPC000051
FoodDB RecordFDB022293
Chemical Information
NameTetradecanedioic acid
DescriptionTetradecanedioic acid is a C14 dicarboxylic acid. [HMDB]
CAS Number821-38-5
Structure
Thumb
Synonyms
SynonymSource
1,12-Dodecanedicarboxylatehmdb
1,12-Dodecanedicarboxylic acidhmdb
1,14-Tetradecanedioatehmdb
1,14-Tetradecanedioic acidhmdb
Dodecamethylenedicarboxylatehmdb
Dodecamethylenedicarboxylic acidhmdb
NSC 9504ChEBI
Tetradecane-1,14-dioatehmdb
Tetradecane-1,14-dioic acidhmdb
Tetradecanedicarboxylatehmdb
Tetradecanedicarboxylic acidhmdb
Tetradecanedioatehmdb
Tetradecanedioic acidhmdb
Chemical FormulaC14H26O4
IUPAC nametetradecanedioic acid
InChI IdentifierInChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
InChI KeyHQHCYKULIHKCEB-UHFFFAOYSA-N
Isomeric SMILESOC(=O)CCCCCCCCCCCCC(O)=O
Average Molecular Weight258.3538
Monoisotopic Molecular Weight258.18310932
Chemical Taxonomy
Description Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentLong-chain fatty acids
Alternative Parents
Substituents
  • Long-chain fatty acid
  • Dicarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • 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 1 g
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 J92811
AKSci M945
Human Metabolome Library HMDB0000872
MetaSci HMDB0000872