BioLiP

PDB

BioLiP

PDB CCD ID:

CMH

Number of entries in BioLiP:

Chemical formula:

C4 H9 Hg N O2 S

InChI:

InChI=1S/C3H7NO2S.CH3.Hg/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H3;/q;;+1/p-1/t2-;;/m0../s1

InChIKey:

OMYFBIZVJYGJJA-JIZZDEOASA-M

SMILES:

Software	SMILES
CACTVS 3.341	C[Hg]SC[C@H](N)C(O)=O
CACTVS 3.341	C[Hg]SC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0	C[Hg]SC[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CS[Hg]C
OpenEye OEToolkits 1.5.0	C[Hg]SCC(C(=O)O)N

Name:

S-(METHYLMERCURY)-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).