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BioLiP

PDB CCD ID: 3JE
Number of entries in BioLiP: 1
Chemical formula: C26 H20 P
InChI: InChI=1S/C26H20P/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H/q+1
InChIKey: ASHQSKHFJGRKOP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4
ACDLabs 12.01C(#C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)c4ccccc4
Name:triphenyl(phenylethynyl)phosphonium
ZINC: ZINC000098208446
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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