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BioLiP

PDB CCD ID: C6W
Number of entries in BioLiP: 4
Chemical formula: C14 H24 N O4 P
InChI: InChI=1S/C14H24NO4P/c1-15(2,3)11-13-19-20(16,17)18-12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3
InChIKey: NFUBQNQOSNBRKK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[N+](C)(C)CCO[P]([O-])(=O)OCCCc1ccccc1
OpenEye OEToolkits 1.9.2C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1
ACDLabs 12.01[O-]P(=O)(OCC[N+](C)(C)C)OCCCc1ccccc1
Name:3-Cyclohexyl-1-Propylphosphocholine
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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