2-((2-Amino-2-carboxyethyl)thio)butanedioic acid
Basic information
- CAS
34317-60-7- Standard SMILES
NC(CSC(CC(=O)O)C(=O)O)C(=O)O- InChIKey
XPKKFTKCRVIDAG-UHFFFAOYSA-N- Molecular formula
- C7H11NO6S
- Average molar mass
- 237.23 g/mol
- Monoisotopic mass
- 237.03070807
Overview
S-Cysteinosuccinic acid is a cysteine derivative and a tricarboxylic acid.
Names & identifiers
- Preferred name
- 2-((2-Amino-2-carboxyethyl)thio)butanedioic acid
- IUPAC
- 2-(2-amino-2-carboxyethyl)sulfanylbutanedioic acid
- English name
- S-(1,2-dicarboxyethyl)cysteine
- Molecular formula
- C7H11NO6S
- Molecular weight
- 237.23
Names & synonyms
34317-60-72-[(2-Amino-2-carboxyethyl)thio]butanedioic acidS-(1,2-Dicarboxyethyl)cysteine2-Amino-3-(1,2-dicarboxyethylthio)propanoic acid2-((2-Amino-2-carboxyethyl)thio)butanedioic acidRefChem:908964S-Cysteinosuccinic acid2-((2-Amino-2-carboxyethyl)thio)succinic acid2-(2-amino-2-carboxyethyl)sulfanylbutanedioic acidS-(2-succinyl)-L-cysteineButanedioic acid, ((2-amino-2-carboxyethyl)thio)-2-[(2-AMINO-2-CARBOXYETHYL)SULFANYL]BUTANEDIOIC ACID
Show more names
13C3,15N]-2SCButanedioic acid, 2-[(2-amino-2-carboxyethyl)thio]-S-(1,2-dicarboxyethyl)-L-Cysteine (Mixture of two diastereoisoMers)
s-succinylcysteineKI-II(1,2-Dicarboxyethyl)cysteine2-SCSCHEMBL1478672DTXSID00955869CHEBI:157780MFCD30145889
Database identifiers
- CAS
34317-60-7
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Experimental & physicochemical properties
Melting Point132 - 134 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 458.1 · 458.1±45.0 °C(Predicted)
- Density
- 1.62 · 1.620±0.06 g/cm3(Predicted)
- pka
- 2.03 · 2.03±0.10(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: S-Cysteinosuccinic acid is a tricarboxylic acid and a cysteine derivative.
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Compound notes
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