Record Information
Version1.0
Creation date2015-10-09 22:29:04 UTC
Update date2017-01-19 02:36:15 UTC
FoodComEx IDPC000177
FoodDB RecordFDB004043
Chemical Information
NameNonadecanoic acid
DescriptionAn odd-numbered long chain fatty acid, likely derived from bacterial or plant sources. Nonadecanoic acid has been found in ox fats and vegetable oils. It is also used by certain insects as a phermone. [HMDB].
CAS Number646-30-0
Structure
Thumb
Synonyms
SynonymSource
Fatty acids, C16-22manual
N-NonadecanoateGenerator
N-nonadecanoic acidbiospider
N-NonadecylateHMDB
N-Nonadecylic acidHMDB
NonadecanoateHMDB
NonadecylateGenerator
Nonadecylic acidmanual
Chemical FormulaC19H38O2
IUPAC namenonadecanoic acid
InChI IdentifierInChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)
InChI KeyISYWECDDZWTKFF-UHFFFAOYSA-N
Isomeric SMILESCCCCCCCCCCCCCCCCCCC(O)=O
Average Molecular Weight298.5038
Monoisotopic Molecular Weight298.28718046
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
  • Straight chain fatty acid
  • Monocarboxylic 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 Y1752
Cayman Chemical 19723
MetaSci HMDB0000772
Sigma-Aldrich HMDB0000772
Toronto Research Chemicals N649200