SEQ2FUN

BioLiP

PDB CCD ID: 262
Number of entries in BioLiP: 1
Chemical formula: C7 H7 O5 P
InChI: InChI=1S/C7H7O5P/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-5H,(H2,9,10,11)
InChIKey: BYNSFVCWJXZPOW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)Oc1ccccc1C=O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C=O)OP(=O)(O)O
ACDLabs 10.04O=P(Oc1ccccc1C=O)(O)O
Name:2-FORMYLPHENYL DIHYDROGEN PHOSPHATE;
RU78262
ChEMBL: CHEMBL286678
DrugBank: DB01947
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).