BioLiP

PDB

BioLiP

PDB CCD ID:

CGV

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O5 S

InChI:

InChI=1S/C5H9NO5S/c6-2(3(7)8)1-12-5(11)4(9)10/h2,5,11H,1,6H2,(H,7,8)(H,9,10)/t2-,5+/m0/s1

InChIKey:

ROTCVIARKSMYOM-JLAZNSOCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C([C@@H](C(=O)O)N)S[C@H](C(=O)O)O
CACTVS 3.385	N[CH](CS[CH](O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6	C(C(C(=O)O)N)SC(C(=O)O)O
ACDLabs 12.01	O=C(O)C(O)SCC(C(=O)O)N
CACTVS 3.385	N[C@@H](CS[C@@H](O)C(O)=O)C(O)=O

Name:

S-[(R)-carboxy(hydroxy)methyl]-L-cysteine

ZINC:

ZINC000263620987

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).