BioLiP

PDB

BioLiP

PDB CCD ID:

MLT

Number of entries in BioLiP:

Chemical formula:

C4 H6 O5

InChI:

InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1

InChIKey:

BJEPYKJPYRNKOW-UWTATZPHSA-N

SMILES:

Software	SMILES
CACTVS 3.370	O[CH](CC(O)=O)C(O)=O
CACTVS 3.370	O[C@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6	C(C(C(=O)O)O)C(=O)O
OpenEye OEToolkits 1.7.6	C([C@H](C(=O)O)O)C(=O)O
ACDLabs 12.01	O=C(O)C(O)CC(=O)O

Name:

D-MALATE;
(2R)-2-HYDROXYBUTANEDIOIC ACID;
2-HYDROXY-SUCCINIC ACID

ChEMBL:

CHEMBL225986

DrugBank:

DB03499

ZINC:

ZINC000000895264

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).