SEQ2FUN

BioLiP

PDB CCD ID: 88L
Number of entries in BioLiP: 1
Chemical formula: C8 H11 O4 P
InChI: InChI=1S/C8H11O4P/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChIKey: CXYYVOJURSDSRL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCc1ccc(O[P](O)(O)=O)cc1
OpenEye OEToolkits 2.0.6CCc1ccc(cc1)OP(=O)(O)O
Name:(4-ethylphenyl) dihydrogen phosphate
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).