Molecular Identity
L-Ethionine
(2S)-2-amino-4-ethylsulfanylbutanoic acid
PubChem CID: 25674
L-ethionine is an S-ethylhomocysteine that has S-configuration at the chiral centre. It has a role as an antimetabolite and a carcinogenic agent. It is an enantiomer of a D-ethionine.
2D Structure
Properties
C6H13NO2S
Molecular Formula
163.24
Molecular Weight
g/mol
163.0667
Exact Mass
Da
-1.5
XLogP
Drug-like (Lipinski: < 5)
88.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
108
Complexity
SMILES
Canonical SMILES
SMILES: CCSCCC(C(=O)O)NIsomeric SMILES
SMILES: CCSCC[C@@H](C(=O)O)NSynonyms(20)
L-Ethionine13073-35-3EthionineS-Ethyl-L-homocysteineL-S-EthylhomocysteineL-2-Amino-4-(ethylthio)butyric acidWX1BN24WZTDTXSID5020578Butyric acid, 2-amino-4-(ethylene)-, L-CHEBI:4886HOMOCYSTEINE S-ETHYL ETHERNSC-82393RefChem:138409DTXCID30578235-966-4
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to L-Ethionine
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