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cis-epoxysuccinic acid , CAS No.C610930, Agonist of succinate receptor
Basic Description
Synonyms
NCGC00013522-02 | 2222820-55-3 | D90518 | (2R,3S)-oxirane-2,3-dicarboxylic acid | cis-AthylenoxiddicarbonsA currencyure | AS-65405 | E0449 | cis-2,3 expoxysuccinate | CS-0099343 | cis-2,3-Oxiranedicarboxylic acid | NCGC00013522 | GEO-01295 | HY-125791 | D
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of succinate receptor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Epoxides
Subclass
Oxirane carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Oxirane carboxylic acids
Alternative Parents
Dicarboxylic acids and derivatives Oxacyclic compounds Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Oxirane carboxylic acid - Dicarboxylic acid or derivatives - Oxacycle - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as oxirane carboxylic acids. These are compounds containing an oxirane ring bearing a carboxylic acid group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(2R,3S)-oxirane-2,3-dicarboxylic acid
INCHI
InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+
InChIKey
DCEMCPAKSGRHCN-XIXRPRMCSA-N
Smiles
OC(=O)[C@@H]1O[C@@H]1C(=O)O
Isomeric SMILES
[C@@H]1([C@H](O1)C(=O)O)C(=O)O
PubChem CID
2734802
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
132.070 g/mol
XLogP3
-0.900
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
132.006 Da
Monoisotopic Mass
132.006 Da
Topological Polar Surface Area
87.100 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
144.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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