L-homolanthionine
Basic information
- CAS
31982-10-2- Standard SMILES
N[C@@H](CCSCC[C@H](N)C(=O)O)C(=O)O- InChIKey
MBEPFGPQVBIIES-WDSKDSINSA-N- Molecular formula
- C8H16N2O4S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.08307817
Overview
L-homolanthionine is a sulfur-containing amino acid in which the gamma-carbon atoms of two molecules of L-aminobutyric acid are joined via a thioether linkage. It is a byproduct of cystathionine-gamma-lyase and a possible human hyperhomocysteinemia marker. It is an organic sulfide, a sulfur-containing amino acid and a non-proteinogenic L-alpha-amino acid. It is functionally related to a L-homocysteine. It is a tautomer of a L-homolanthionine dizwitterion.
Names & identifiers
- Preferred name
- L-homolanthionine
- IUPAC
- (2S)-2-amino-4-[(3S)-3-amino-3-carboxypropyl]sulfanylbutanoic acid
Names & synonyms
L-HomolanthionineCHEBI:62856(S,S)-2,2'-diamino-4,4'-sulfanediyldibutyric acidRefChem:1088190(2S,2'S)-4,4'-sulfanediylbis(2-aminobutanoic acid);S-((3S)-3-amino-3-carboxypropyl)-L-homocysteinehomolanthionineL-Homolanthionin(2S,2'S)-4,4'-thiobis(2-aminobutanoic acid)S-[(3S)-3-amino-3-carboxypropyl]-L-homocysteine(2S,2'S)-4,4'-sulfanediylbis(2-aminobutanoic acid)SCHEMBL1031684(2S,2'S)-4,4'-thiobis(2-aminobutanoicacid)
Show more names
Q27132238
Database identifiers
- CAS
31982-10-2- PubChem CID
- 53477567
- ChEBI
CHEBI:62856- Nikkaji
- J18.867K
Properties
Computed structural properties
- XLogP
- -5.6
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
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Compound notes
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