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BioLiP

PDB CCD ID: ZUV
Number of entries in BioLiP: 4
Chemical formula: C17 H31 F N O4 P
InChI: InChI=1S/C17H31FNO4P/c1-3-5-14-19-17(20)22-15-12-10-8-6-7-9-11-13-16-24(18,21)23-4-2/h1H,4-16H2,2H3,(H,19,20)/t24-/m1/s1
InChIKey: XPLTVISHLDPSGW-XMMPIXPASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCO[P](F)(=O)CCCCCCCCCCOC(=O)NCCC#C
CACTVS 3.385CCO[P@](F)(=O)CCCCCCCCCCOC(=O)NCCC#C
OpenEye OEToolkits 2.0.7CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCC#C)F
ACDLabs 12.01FP(=O)(CCCCCCCCCCOC(=O)NCCC#C)OCC
OpenEye OEToolkits 2.0.7CCOP(=O)(CCCCCCCCCCOC(=O)NCCC#C)F
Name:ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate
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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