A1A7V
S-lactoyl-L-cysteine
Created: | 2024-09-17 |
Last modified: | 2025-03-12 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 2 |
Bond Count | 22 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | S-lactoyl-L-cysteine |
Synonyms | S-[(2S)-2-hydroxypropanoyl]-L-cysteine |
Systematic Name (OpenEye OEToolkits) | (2~{R})-2-azanyl-3-[(2~{S})-2-oxidanylpropanoyl]sulfanyl-propanoic acid |
Formula | C6 H11 N O4 S |
Molecular Weight | 193.221 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 14.52 | OC(=O)C(N)CSC(=O)C(C)O |
SMILES | CACTVS | 3.385 | C[CH](O)C(=O)SC[CH](N)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)SCC(C(=O)O)N)O |
Canonical SMILES | CACTVS | 3.385 | C[C@H](O)C(=O)SC[C@H](N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)SC[C@@H](C(=O)O)N)O |
InChI | InChI | 1.06 | InChI=1S/C6H11NO4S/c1-3(8)6(11)12-2-4(7)5(9)10/h3-4,8H,2,7H2,1H3,(H,9,10)/t3-,4-/m0/s1 |
InChIKey | InChI | 1.06 | SRTPBDVCLYHKFK-IMJSIDKUSA-N |