BioLiP

PDB

BioLiP

PDB CCD ID:

08P

Number of entries in BioLiP:

Chemical formula:

C5 H7 N O5 S

InChI:

InChI=1S/C5H7NO5S/c7-3(5(10)11)6-2(1-12)4(8)9/h2,12H,1H2,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1

InChIKey:

JOFZGZRXVKSFKN-UWTATZPHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	C([C@H](C(=O)O)NC(=O)C(=O)O)S
CACTVS 3.370	OC(=O)[CH](CS)NC(=O)C(O)=O
CACTVS 3.370	OC(=O)[C@@H](CS)NC(=O)C(O)=O
ACDLabs 12.01	O=C(C(=O)O)NC(C(=O)O)CS
OpenEye OEToolkits 1.7.2	C(C(C(=O)O)NC(=O)C(=O)O)S

Name:

N-(carboxycarbonyl)-D-cysteine;
N-oxalyl-D-cysteine

ChEMBL:

CHEMBL2030868

ZINC:

ZINC000084758366

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).