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BioLiP

PDB CCD ID: CYW
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O4 S
InChI: 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+/m1/s1
InChIKey: SRTPBDVCLYHKFK-DMTCNVIQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C(=O)SCC(C(=O)O)N)O
ACDLabs 12.01O=C(SCC(C(=O)O)N)C(O)C
CACTVS 3.370C[C@@H](O)C(=O)SC[C@H](N)C(O)=O
CACTVS 3.370C[CH](O)C(=O)SC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.0C[C@H](C(=O)SC[C@@H](C(=O)O)N)O
Name:S-[(2R)-2-hydroxypropanoyl]-L-cysteine;
lactoylglutathione
ZINC: ZINC000098208776
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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