BioLiP

PDB

BioLiP

PDB CCD ID:

CSW

Number of entries in BioLiP:

Chemical formula:

C3 H7 N O4 S

InChI:

InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1

InChIKey:

ADVPTQAUNPRNPO-REOHCLBHSA-N

SMILES:

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

Name:

CYSTEINE-S-DIOXIDE;
CYSTEINE SULFINIC ACID

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).