BioLiP

PDB

BioLiP

PDB CCD ID:

CYW

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C(=O)SCC(C(=O)O)N)O
ACDLabs 12.01	O=C(SCC(C(=O)O)N)C(O)C
CACTVS 3.370	C[C@@H](O)C(=O)SC[C@H](N)C(O)=O
CACTVS 3.370	C[CH](O)C(=O)SC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.0	C[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, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

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).