Record Information Version
1.0 Update Date
1/22/2018 11:54:54 AM
Metabolite ID PAMDB110131
Identification Name:
(2S )-2-isopropyl-3-oxosuccinate Description: Not Available
Structure
Synonyms:
2-isopropyl-3-oxosuccinate
Chemical Formula:
C7 H8 O5
Average Molecular Weight:
174.0528234315 Monoisotopic Molecular
Weight:
174.0528234315 InChI Key:
HIIZAGQWABAMRR-BYPYZUCNSA-L InChI:
InChI=1S/C7H10O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)/p-2/t4-/m0/s1 CAS
number:
Not Available IUPAC Name: Not Available
Traditional IUPAC Name:
Not Available SMILES: CC(C(C(=O)[O-])C(=O)C(=O)[O-])C
Chemical Taxonomy
Taxonomy Description This compound belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms.
Kingdom
Organic compounds Super Class Organic acids and derivatives
Class
Keto acids and derivatives Sub Class Short-chain keto acids and derivatives
Direct Parent
Short-chain keto acids and derivatives Alternative Parents
Substituents
Beta-keto acid Branched fatty acid Methyl-branched fatty acid Short-chain keto acid Alpha-keto acid Fatty acyl 1,3-dicarbonyl compound Dicarboxylic acid or derivatives Ketone Carboxylic acid derivative Carboxylic acid Organic oxygen compound Organic oxide Organooxygen compound Carbonyl group Hydrocarbon derivative Organic anion Aliphatic acyclic compound Molecular Framework
Aliphatic acyclic compounds External Descriptors
a small molecule (CPD-7100)
Physical Properties State:
Not Available Charge: Not Available
Melting point:
Not Available Experimental Properties:
Not Available Predicted Properties
Biological Properties Cellular Locations:
Not Available Reactions:
Pathways:
Spectra Spectra:
Not Available
References References:
Not Available Synthesis Reference:
Not Available Material Safety Data Sheet (MSDS)
Not Available
Links External Links:
This project is supported by
the University of Maryland ,
School of Pharmacy ,
Mass Spectrometry Center , a Waters Center of Excellence. The center is an NIH-investigator funded research and core facility that supports a wide range of cutting-edge metabolomic studies. The Center is supported through a center grant from the University of Maryland and NIH grants to its members. The PAMDB project is affiliated with
The Metabolomics Innovation Centre (TMIC) a leading metabolomics research and service center funded through Genome Alberta, Genome British Columbia and Genome Canada.
