Record Information
Version1.0
Creation date2015-10-09 22:32:35 UTC
Update date2017-01-19 02:36:35 UTC
FoodComEx IDPC000765
FoodDB RecordFDB021862
Chemical Information
Name3-Mercapto-2-oxopropanoic acid
Description3-Mercaptopyruvic acid is an intermediate in cysteine metabolism. 3-Mercapto-2-oxopropanoic acid is found in many foods, some of which are common thyme, tamarind, caraway, and sea-buckthornberry.
CAS Number2464-23-5
Structure
Thumb
Synonyms
SynonymSource
3-Mercapto-2-oxopropanoateGenerator
3-Mercapto-2-oxopropanoic acidmanual
3-Mercapto-pyruvateHMDB
3-Mercapto-pyruvic acidHMDB
3-Mercaptopyruvatemanual
3-Mercaptopyruvic acidChEBI
b-Mercaptopyruvic aciddb_source
beta-3-Mercapto-2-oxo-propanoateHMDB
beta-3-Mercapto-2-oxo-propanoic acidHMDB
beta-MercaptopyruvateHMDB
beta-Mercaptopyruvic acidHMDB
beta-ThiopyruvateHMDB
beta-Thiopyruvic acidHMDB
Mercaptopyruvatemanual
Mercaptopyruvic acidGenerator
ThiopyruvateHMDB
Chemical FormulaC3H4O3S
IUPAC name2-oxo-3-sulfanylpropanoic acid
InChI IdentifierInChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)
InChI KeyOJOLFAIGOXZBCI-UHFFFAOYSA-N
Isomeric SMILESOC(=O)C(=O)CS
Average Molecular Weight120.127
Monoisotopic Molecular Weight119.988114684
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassKeto acids and derivatives
Sub ClassAlpha-keto acids and derivatives
Direct ParentAlpha-keto acids and derivatives
Alternative Parents
Substituents
  • Alpha-keto acid
  • Alpha-hydroxy ketone
  • Ketone
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Alkylthiol
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organosulfur compound
  • 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 PointMp 140-141°CCD
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 80 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
Not Available