Lanthionine, meso-
Basic information
- CAS
922-56-5- Standard SMILES
N[C@H](CSC[C@H](N)C(=O)O)C(=O)O- InChIKey
DWPCPZJAHOETAG-ZXZARUISSA-N- Molecular formula
- C6H12N2O4S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.05177804
Overview
Meso-lanthionine is the meso-isomer of lanthionine. It is a key constituent of bacterial peptidoglycan type A51 and A3delta. It is a lanthionine, a L-cysteine derivative and a D-cysteine derivative.
Names & identifiers
- Preferred name
- Lanthionine, meso-
- IUPAC
- (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylpropanoic acid
- English name
- MESO-LANTHIONINE
- Molecular formula
- C6H12N2O4S
- Molecular weight
- 208.24
Names & synonyms
MESO-LANTHIONINE922-56-5Lanthionine, meso-Alanine, 3,3'-thiodi-, meso-UNII-104T761S26D-Cysteine, S-((2R)-2-amino-2-carboxyethyl)-(2S*,6R*)-lanthionineD-Cysteine, S-(2-amino-2-carboxyethyl)-, (R)-3,3'-thiobis-meso-alanine104T761S26CHEBI:25205(2S,6R)-2,6-diamino-4-thiaheptanedioic acid
Show more names
(2S,6R)-Lanthionine(2R,6S)-2,6-Diamino-4-thiaheptanedioic acidD-Cysteine, S-[(2R)-2-amino-2-carboxyethyl]-(S)-3-[(R)-2-Amino-2-carboxyethylthio]-2-aminopropionic acid(S)-2-Amino-3-[[(R)-2-amino-2-carboxyethyl]thio]propanoic acid
LANTHIONINE MESO-FORM [MI](R,S)-bis(2-amino-2-carboxyethyl)sulfide(R)-S-(2-amino-2-carboxyethyl)-D-cysteine(R,S)-2,6-diamino-4-thiaheptanedioic acid(R,S)-3,3'-thiobis-(2-aminopropanoic acid)S-((2R)-2-amino-2-carboxyethyl)-D-cysteineS-[(2S)-2-amino-2-carboxyethyl]-L-cysteine(2R*,6S*)-2,6-diamino-4-thiaheptanedioic acid
Database identifiers
- CAS
922-56-5- PubChem CID
Properties
Computed structural properties
- XLogP
- -6.3
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 283 ℃ · 283℃ (decomposition)
- Boiling point
- 462.6 · 462.6±45.0 °C(Predicted)
- Density
- 1.499 · 1.499±0.06 g/cm3(Predicted)
- pka
- 1.75 · 1.75±0.10(Predicted)
- FDA UNII
- 104 T761S26 · 104T761S26
Chemistry & industry
Additional notes
DefinitionChEBI: Meso-lanthionine is the meso-isomer of lanthionine. It is a key constituent of bacterial peptidoglycan type A51 and A3delta. It is a lanthionine, a L-cysteine derivative and a D-cysteine derivative.
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