(3E,5Z)-tetradecadienoate (PAMDB120407)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120407
Identification
Name: (3E,5Z)-tetradecadienoate
Description:A long-chain unsaturated fatty acid anion that is the conjugate base of (3E,5Z)-tetradecadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • (3E,5Z)-tetradecadienoate(1−)
  • (E,Z)-tetradeca-3,5-dienoate
  • 3-trans,5-cis-tetradecadienoate
  • 3-trans,5-cis-tetradecadienoate(1−)
  • megatomoate
Chemical Formula: C14H23O2
Average Molecular Weight: 223.334
Monoisotopic Molecular Weight: 224.17763
InChI Key: YRUMHTHCEZRHTN-XAZJVICWSA-M
InChI:InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-12H,2-8,13H2,1H3,(H,15,16)/p-1/b10-9-,12-11+
CAS number: Not Available
IUPAC Name:(3E,5Z)-tetradeca-3,5-dienoate
Traditional IUPAC Name: Not Available
SMILES:CCCCCCCCC=CC=CCC(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound 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.
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Fatty Acyls
Sub ClassFatty acids and conjugates
Direct Parent Long-chain fatty acids
Alternative Parents
Substituents
  • Long-chain fatty acid
  • Unsaturated 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
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • an unsaturated fatty acid (CPD0-1159)
Physical Properties
State: Not Available
Charge:-1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight223.336 g/molPubChem
XLogP3-AA5.7 PubChem
Hydrogen Bond Donor Count0 PubChem
Hydrogen Bond Acceptor Count2 PubChem
Rotatable Bond Count9 PubChem
Exact Mass223.17 g/molPubChem
Monoisotopic Mass223.17 g/molPubChem
Topological Polar Surface Area40.1 A^2PubChem
Heavy Atom Count16 PubChem
Formal Charge-1 PubChem
Complexity211 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count2 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
3-trans,5-cis-tetradecadienoyl-CoA + Water → Hydrogen ion + (3E,5Z)-tetradecadienoate + coenzyme A
Pathways:
Spectra
Spectra: Not Available
References
References:
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI71590
PUBCHEM25245804