BioLiP

PDB

BioLiP

PDB CCD ID:

D2T

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O4 S

InChI:

InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1

InChIKey:

AOSGDBLMPHPJQU-STHAYSLISA-N

SMILES:

Software	SMILES
CACTVS 3.385	CS[CH]([CH](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2	CS[C@H]([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.385	CS[C@H]([C@H](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2	CSC(C(C(=O)O)N)C(=O)O
ACDLabs 12.01	NC(C(=O)O)C(SC)C(=O)O

Name:

(3R)-3-(methylsulfanyl)-L-aspartic 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).