BioLiP

PDB

BioLiP

PDB CCD ID:

LMR

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-/m0/s1

InChIKey:

BJEPYKJPYRNKOW-REOHCLBHSA-N

SMILES:

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

Name:

(2S)-2-hydroxybutanedioic acid;
L-Malate

ChEMBL:

CHEMBL1234046

ZINC:

ZINC000000895074

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).