SEQ2FUN

BioLiP

PDB CCD ID: MU6
Number of entries in BioLiP: 1
Chemical formula: C5 H8 O4
InChI: InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
InChIKey: OREAFAJWWJHCOT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)(C(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(C)(C)C(=O)O
OpenEye OEToolkits 2.0.7CC(C)(C(=O)O)C(=O)O
Name:dimethylpropanedioic acid
ChEMBL: CHEMBL3360549
ZINC: ZINC000000337821
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).