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BioLiP

PDB CCD ID: TUN
Number of entries in BioLiP: 1
Chemical formula: C6 H16 N O3 P
InChI: InChI=1S/C6H16NO3P/c1-4-7(5-2)11(8,9)10-6-3/h4-6H2,1-3H3,(H,8,9)
InChIKey: DUNFIZRDIMDMIH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CCN(CC)[P@](=O)(O)OCC
CACTVS 3.352CCO[P](O)(=O)N(CC)CC
ACDLabs 10.04O=P(O)(OCC)N(CC)CC
OpenEye OEToolkits 1.6.1CCN(CC)P(=O)(O)OCC
Name:ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE
DrugBank: DB08658
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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