SEQ2FUN

BioLiP

PDB CCD ID: 252
Number of entries in BioLiP: 5
Chemical formula: C9 H22 O7 P2
InChI: InChI=1S/C9H22O7P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
InChIKey: COHUUYPEYRMWTH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)C(O)(CCCCCCCC)P(=O)(O)O
CACTVS 3.341CCCCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
Name:(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
ChEMBL: CHEMBL110971
DrugBank: DB06931
ZINC: ZINC000024951633
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).