Basic information
- Standard SMILES
CC(O)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O- InChIKey
VDYDCVUWILIYQF-UHFFFAOYSA-N- Molecular formula
- C13H21N3O8S
- Average molar mass
- 379.39 g/mol
- Monoisotopic mass
- 379.10493563
Overview
(R)-S-lactoylglutathionate anion has been reported in Homo sapiens and Escherichia coli with data available.
Names & identifiers
- Preferred name
- (R)-S-lactoylglutathionate anion
- IUPAC
- 2-amino-5-[[1-(carboxymethylamino)-3-(2-hydroxypropanoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
NSC651836(R)-S-lactoylglutathionate anionSCHEMBL940513DTXSID50865181(R)-S-Lactoylglutathionic acid anion(R)-S-Lactoylglutathionic acid(1-)NS00014921gamma-Glutamyl-S-(2-hydroxypropanoyl)cysteinylglycineN~5~-(2-((Carboxymethyl)amino)-1-((lactoylthio)methyl)-2-oxoethyl)glutamine2-amino-5-[[2-(carboxymethylamino)-1-(2-hydroxypropanoylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Database identifiers
- PubChem CID
- 1083
- DTXSID
DTXSID50865181
Properties
Computed structural properties
- XLogP
- -4.6
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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