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BioLiP

PDB CCD ID: DPW
Number of entries in BioLiP: 2
Chemical formula: C15 H34 N O4 P
InChI: InChI=1S/C15H34NO4P/c1-5-6-7-8-9-10-11-12-14-19-21(17,18)20-15-13-16(2,3)4/h5-15H2,1-4H3
InChIKey: VVVDGSCGBGBGFN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 1.5.0CCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
OpenEye OEToolkits 1.5.0CCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C
ACDLabs 10.04[O-]P(=O)(OCCCCCCCCCC)OCC[N+](C)(C)C
Name:decyl 2-trimethylazaniumylethyl 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).
  • 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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