SEQ2FUN

BioLiP

PDB CCD ID: L69
Number of entries in BioLiP: 2
Chemical formula: C8 H12 O8 P2
InChI: InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)
InChIKey: JKOCAAWWDVHWKB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O
CACTVS 3.385CC(Oc1ccc(O)cc1)([P](O)(O)=O)[P](O)(O)=O
Name:[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid;
L-690330
ChEMBL: CHEMBL34819
ZINC: ZINC000001533832
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).