BioLiP

PDB

BioLiP

PDB CCD ID:

J3D

Number of entries in BioLiP:

Chemical formula:

C4 H7 N O4 S

InChI:

InChI=1S/C4H7NO4S/c6-3(7)2(1-10)5-4(8)9/h2,5,10H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1

InChIKey:

ZJMMJMHTXLTBFW-REOHCLBHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)N[CH](CS)C(O)=O
ACDLabs 12.01	C(S)C(C(O)=O)NC(=O)O
CACTVS 3.385	OC(=O)N[C@@H](CS)C(O)=O
OpenEye OEToolkits 2.0.6	C(C(C(=O)O)NC(=O)O)S
OpenEye OEToolkits 2.0.6	C([C@@H](C(=O)O)NC(=O)O)S

Name:

N-carboxy-L-cysteine

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).