SEQ2FUN

BioLiP

PDB CCD ID: 9TY
Number of entries in BioLiP: 142
Chemical formula: C5 H6 O4
InChI: InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChIKey: FDKLLWKMYAMLIF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C1(CC1)C(O)=O
ACDLabs 12.01C(=O)(O)C1(C(O)=O)CC1
OpenEye OEToolkits 2.0.6C1CC1(C(=O)O)C(=O)O
Name:cyclopropane-1,1-dicarboxylic acid
ChEMBL: CHEMBL1993862
ZINC: ZINC000000388470
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).