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BioLiP Library

PDB CCD ID: A1LZU
Number of entries in BioLiP: 1
Chemical formula: C13 H21 O5 P
InChI: InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)
InChIKey: QVNNONOFASOXQV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)c1cccc(c1OCOP(=O)(O)O)C(C)C
CACTVS 3.385CC(C)c1cccc(C(C)C)c1OCO[P](O)(O)=O
Name:[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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