Record Information
Version1.0
Creation date2015-10-09 22:27:13 UTC
Update date2017-01-19 02:36:09 UTC
FoodComEx IDPC000003
FoodDB RecordFDB022146
Chemical Information
NameGlutaconic acid
DescriptionGlutaconic acid is an organic compound with general formula C5H6O4. The compound is a dicarboxylic acid and related with the fully saturated glutaric acid. [HMDB]
CAS Number1724-02-3
Structure
Thumb
Synonyms
SynonymSource
(E)-2-Pentenedioatehmdb
(E)-2-Pentenedioic acidhmdb
(E)-Glutaconatehmdb
(E)-Glutaconic acidhmdb
1-Propene-1,3-dicarboxylatehmdb
1-Propene-1,3-dicarboxylic acidhmdb
1,3-Propenedicarboxylatehmdb
1,3-Propenedicarboxylic acidhmdb
GlutaconateGenerator
Glutaconic acidhmdb
Pentenedioatehmdb
Pentenedioic acidhmdb
trans-Glutaconatehmdb
trans-Glutaconic acidhmdb
Chemical FormulaC5H6O4
IUPAC name(2E)-pent-2-enedioic acid
InChI IdentifierInChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
InChI KeyXVOUMQNXTGKGMA-OWOJBTEDSA-N
Isomeric SMILESOC(=O)C\C=C\C(O)=O
Average Molecular Weight130.0987
Monoisotopic Molecular Weight130.02660868
Chemical Taxonomy
Description belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassDicarboxylic acids and derivatives
Direct ParentDicarboxylic acids and derivatives
Alternative Parents
Substituents
  • Fatty acyl
  • Fatty acid
  • Unsaturated fatty acid
  • Dicarboxylic acid or derivatives
  • Carboxylic acid
  • 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
Not Available