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BioLiP

PDB CCD ID: TQV
Number of entries in BioLiP: 4
Chemical formula: C14 H15 O5 P
InChI: InChI=1S/C14H15O5P/c1-11-6-2-5-9-14(11)19-20(16,17)18-10-12-7-3-4-8-13(12)15/h2-9,15H,10H2,1H3,(H,16,17)
InChIKey: IZFXZRKTLPZKSA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1ccccc1OP(=O)(O)OCc2ccccc2O
CACTVS 3.385Cc1ccccc1O[P](O)(=O)OCc2ccccc2O
ACDLabs 12.01O=P(O)(Oc1ccccc1C)OCc2ccccc2O
Name:O-CRESYL-SALIGENIN PHOSPHATE
ZINC: ZINC000098209463
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).
  • 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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