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BioLiP Library

PDB CCD ID: 742
Number of entries in BioLiP: 2
Chemical formula: C16 H38 O6 P3
InChI: InChI=1S/C16H37O6P3/c1-4-5-6-7-8-9-10-11-12-13-14-23(2,3)15-16(24(17,18)19)25(20,21)22/h16H,4-15H2,1-3H3,(H3-,17,18,19,20,21,22)/p+1
InChIKey: QCMHKGWUOSRYCF-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)C(C[P+](CCCCCCCCCCCC)(C)C)P(=O)(O)O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC[P+](C)(C)CC(P(=O)(O)O)P(=O)(O)O
CACTVS 3.341CCCCCCCCCCCC[P+](C)(C)CC([P](O)(O)=O)[P](O)(O)=O
Name:(2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM
DrugBank: DB07221
ZINC: ZINC000016052649
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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