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BioLiP

PDB CCD ID: LMR
Number of entries in BioLiP: 20
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:
SoftwareSMILES
CACTVS 3.341O[CH](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)O)C(=O)O
CACTVS 3.341O[C@@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)O)C(=O)O
ACDLabs 10.04O=C(O)CC(O)C(=O)O
Name:(2S)-2-hydroxybutanedioic acid;
L-Malate
ChEMBL: CHEMBL1234046
ZINC: ZINC000000895074
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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