BioLiP

PDB

BioLiP

PDB CCD ID:

XCN

Number of entries in BioLiP:

Chemical formula:

C4 H6 N2 O2 S

InChI:

InChI=1S/C4H6N2O2S/c5-2-9-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1

InChIKey:

SZWQJLWRBFBNHI-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C(C(C(=O)O)N)SC#N
OpenEye OEToolkits 1.7.0	C([C@@H](C(=O)O)N)SC#N
CACTVS 3.370	N[C@@H](CSC#N)C(O)=O
CACTVS 3.370	N[CH](CSC#N)C(O)=O
ACDLabs 12.01	O=C(O)C(N)CSC#N

Name:

S-cyano-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).