BioLiP

PDB

BioLiP

PDB CCD ID:

SRT

Number of entries in BioLiP:

Chemical formula:

C4 H6 O6

InChI:

InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+

InChIKey:

FEWJPZIEWOKRBE-XIXRPRMCSA-N

SMILES:

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

Name:

S,R MESO-TARTARIC ACID

ChEMBL:

CHEMBL225983

DrugBank:

DB14756

ZINC:

ZINC000000895297

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).