Record Information
Version1.0
Creation date2015-10-09 22:31:20 UTC
Update date2017-01-19 02:36:28 UTC
FoodComEx IDPC000574
FoodDB RecordFDB022239
Chemical Information
NameOctadecanedioic acid
DescriptionOctadecanedioic acid is a long-chain dicarboxylic acid normally not found in humans that has been identified in blood serum in Reye's syndrome patients (PMID 3746531) [HMDB]
CAS Number871-70-5
Structure
Thumb
Synonyms
SynonymSource
1,16-Hexadecanedicarboxylatehmdb
1,16-Hexadecanedicarboxylic acidhmdb
1,18-Octadecanedioatehmdb
1,18-Octadecanedioic acidhmdb
Octadecanedioatehmdb
Octadecanedioic acidhmdb
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)
InChI KeyBNJOQKFENDDGSC-UHFFFAOYSA-N
Isomeric SMILESOC(=O)CCCCCCCCCCCCCCCCC(O)=O
Average Molecular Weight314.4602
Monoisotopic Molecular Weight314.245709576
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 200 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
Toronto Research Chemicals O235303