Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120463
Identification
Name: (15Z)-tetracosenoate
Description:A C24, monounsaturated, straight-chain fatty acid anion and the conjugate base of nervonic acid, arising from deprotonation of the carboxylic acid group.
Structure
Thumb
Synonyms:
  • (15Z)-tetracosenoate
  • (15Z)-tetracosenoate
  • (Z)-15-tetracosenoate
  • (Z)-tetracos-15-enoate
  • cis-15-tetracosenoate
  • cis15-tetracosenoate
  • nervonate
Chemical Formula: C24H45O2
Average Molecular Weight: 365.618
Monoisotopic Molecular Weight: 366.3498
InChI Key: GWHCXVQVJPWHRF-KTKRTIGZSA-M
InChI:InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/p-1/b10-9-
CAS number: Not Available
IUPAC Name:(15Z)-tetracos-15-enoate
Traditional IUPAC Name: Not Available
SMILES:CCCCCCCCC=CCCCCCCCCCCCCCC(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Fatty Acyls
Sub ClassFatty acids and conjugates
Direct Parent Very long-chain fatty acids
Alternative Parents
Substituents
  • Very long-chain fatty acid
  • Unsaturated fatty acid
  • Straight chain fatty acid
  • Carboxylic acid salt
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:-1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass365.6121ChemAxon
logP7.1144ChemAxon
H-bond acceptors2ChemAxon
H-bond donors0ChemAxon
Rotatable bonds21ChemAxon
PSA40.1300ChemAxon
RO5 violations1ChemAxon
RO3 violations3ChemAxon
Refractivity116.8375ChemAxon
Atoms71ChemAxon
Rings0ChemAxon
Heavy atoms26ChemAxon
Hydrogen atoms45ChemAxon
Heteroatoms2ChemAxon
N/O atoms2ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers0ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds1ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds1ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    METABOLIGHTSMTBLC32392
    CHEBI32392