SEQ2FUN

BioLiP

PDB CCD ID: 7PA
Number of entries in BioLiP: 1
Chemical formula: C3 H10 O6 P2
InChI: InChI=1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9)
InChIKey: PUVMVPFLXCHEOY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)CCC[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)CCCP(=O)(O)O
OpenEye OEToolkits 1.5.0C(CP(=O)(O)O)CP(=O)(O)O
Name:PROPANE-1,3-DIYLBIS(PHOSPHONIC ACID)
ChEMBL: CHEMBL1230579
ZINC: ZINC000031962397
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).