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BioLiP

PDB CCD ID: DXX
Number of entries in BioLiP: 12
Chemical formula: C4 H6 O4
InChI: InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
InChIKey: ZIYVHBGGAOATLY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(=O)O)C(=O)O
ACDLabs 10.04O=C(O)C(C(=O)O)C
Name:METHYLMALONIC ACID
ChEMBL: CHEMBL1232416
DrugBank: DB04183
ZINC: ZINC000000901289
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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