BioLiP

PDB

BioLiP

PDB CCD ID:

OV7

Number of entries in BioLiP:

Chemical formula:

C4 H7 N O4 S

InChI:

InChI=1S/C4H7NO4S/c5-3(4(8)9)10-1-2(6)7/h3H,1,5H2,(H,6,7)(H,8,9)/t3-/m1/s1

InChIKey:

FDUUQONQQWJTKJ-GSVOUGTGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C(=O)O)SC(C(=O)O)N
OpenEye OEToolkits 2.0.7	C(C(=O)O)S[C@H](C(=O)O)N
CACTVS 3.385	N[CH](SCC(O)=O)C(O)=O
ACDLabs 12.01	NC(C(O)=O)SCC(O)=O
CACTVS 3.385	N[C@H](SCC(O)=O)C(O)=O

Name:

(2R)-amino[(carboxymethyl)sulfanyl]acetic 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).