SEQ2FUN

BioLiP

PDB CCD ID: MAK
Number of entries in BioLiP: 7
Chemical formula: C3 H2 O5
InChI: InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)
InChIKey: XEEVLJKYYUVTRC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)C(O)=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)O)C(=O)O
Name:ALPHA-KETOMALONIC ACID
DrugBank: DB03589
ZINC: ZINC000001532759
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).