SEQ2FUN

BioLiP

PDB CCD ID: ZPS
Number of entries in BioLiP: 6
Chemical formula: C6 H8 O4
InChI: InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)
InChIKey: CCQPAEQGAVNNIA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C1(CCC1)C(O)=O
ACDLabs 12.01O=C(O)C1(CCC1)C(O)=O
OpenEye OEToolkits 2.0.7C1CC(C1)(C(=O)O)C(=O)O
Name:cyclobutane-1,1-dicarboxylic acid
ChEMBL: CHEMBL1162546
ZINC: ZINC000000404340
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).