BioLiP

PDB

BioLiP

PDB CCD ID:

M0H

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O3 S

InChI:

InChI=1S/C4H9NO3S/c5-3(4(7)8)1-9-2-6/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1

InChIKey:

FOTRPRWMLKFGLW-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C(C(=O)O)N)SCO
OpenEye OEToolkits 1.5.0	C([C@@H](C(=O)O)N)SCO
CACTVS 3.341	N[CH](CSCO)C(O)=O
CACTVS 3.341	N[C@@H](CSCO)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CSCO

Name:

S-(HYDROXYMETHYL)-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).