
 CHEMBL117663

 69 68  0  0  0  0  0  0  0  0999 V2000
   13.8053   15.7046    5.6091 C   0  0  0  0  0
   12.8972   14.6233    5.0477 C   0  0  0  0  0
   12.7991   13.4216    5.9883 C   0  0  0  0  0
   11.9032   12.3353    5.3907 C   0  0  0  0  0
   11.8065   11.1117    6.3048 C   0  0  0  0  0
   10.8557   10.0333    5.7712 C   0  0  0  0  0
   11.3246    9.4256    4.4483 C   0  0  0  0  0
   10.3927    8.3117    3.9636 C   0  0  0  0  0
   10.9046    7.7584    2.6637 C   0  0  0  0  0
   10.2431    7.8260    1.4965 C   0  0  0  0  0
   10.7674    7.3855    0.1525 C   0  0  0  0  0
   12.2895    7.4347   -0.0473 C   0  0  0  0  0
   12.8487    8.8606    0.0255 C   0  0  0  0  0
   14.3787    8.8670    0.0043 C   0  0  0  0  0
   14.9166   10.2933    0.1374 C   0  0  0  0  0
   16.4458   10.3837    0.1772 C   0  0  0  0  0
   17.1199    9.6184    1.3157 C   0  0  0  0  0
   16.7720   10.1242    2.7049 C   0  0  0  0  0
   16.1348   11.1471    2.9298 O   0  0  0  0  0
   17.2818    9.3213    3.7044 N   0  0  0  0  0
   17.1018    9.6311    5.1067 C   0  0  0  0  0
   15.8495    8.9714    5.6690 C   0  0  0  0  0
   15.6113    9.3817    7.1061 C   0  0  0  0  0
   14.5425    8.6872    7.6017 F   0  0  0  0  0
   16.8756    8.9302    8.2825 P   0  0  0  0  0
   18.1158    9.7617    8.2858 O   0  0  0  0  0
   16.1298    8.8567    9.7036 O   0  0  0  0  0
   17.1906    7.3718    8.0627 O   0  0  0  0  0
   13.8541   16.5528    4.9189 H   0  0  0  0  0
   14.8221   15.3262    5.7540 H   0  0  0  0  0
   13.4327   16.0701    6.5711 H   0  0  0  0  0
   13.2834   14.3026    4.0729 H   0  0  0  0  0
   11.8992   15.0439    4.8774 H   0  0  0  0  0
   12.3972   13.7420    6.9570 H   0  0  0  0  0
   13.8005   13.0131    6.1707 H   0  0  0  0  0
   12.3116   12.0449    4.4166 H   0  0  0  0  0
   10.8998   12.7415    5.2152 H   0  0  0  0  0
   11.4505   11.4270    7.2933 H   0  0  0  0  0
   12.8036   10.6799    6.4509 H   0  0  0  0  0
    9.8515   10.4571    5.6504 H   0  0  0  0  0
   10.7770    9.2390    6.5236 H   0  0  0  0  0
   12.3420    9.0324    4.5712 H   0  0  0  0  0
   11.3731   10.2023    3.6762 H   0  0  0  0  0
    9.3741    8.7018    3.8501 H   0  0  0  0  0
   10.3515    7.5037    4.7027 H   0  0  0  0  0
   11.8951    7.3120    2.7039 H   0  0  0  0  0
    9.2464    8.2645    1.4814 H   0  0  0  0  0
   10.3041    8.0214   -0.6128 H   0  0  0  0  0
   10.4098    6.3662   -0.0357 H   0  0  0  0  0
   12.5253    7.0152   -1.0332 H   0  0  0  0  0
   12.7878    6.7901    0.6860 H   0  0  0  0  0
   12.5109    9.3586    0.9411 H   0  0  0  0  0
   12.4621    9.4477   -0.8164 H   0  0  0  0  0
   14.7432    8.4169   -0.9264 H   0  0  0  0  0
   14.7405    8.2485    0.8325 H   0  0  0  0  0
   14.4931   10.7629    1.0319 H   0  0  0  0  0
   14.5622   10.8874   -0.7146 H   0  0  0  0  0
   16.7271   11.4425    0.2389 H   0  0  0  0  0
   16.8454   10.0110   -0.7740 H   0  0  0  0  0
   18.2068    9.7187    1.2031 H   0  0  0  0  0
   16.8899    8.5499    1.2539 H   0  0  0  0  0
   17.7900    8.4822    3.4530 H   0  0  0  0  0
   17.0513   10.7184    5.2318 H   0  0  0  0  0
   17.9976    9.2700    5.6201 H   0  0  0  0  0
   15.9415    7.8806    5.6023 H   0  0  0  0  0
   14.9693    9.2321    5.0691 H   0  0  0  0  0
   15.3726   10.4462    7.1867 H   0  0  0  0  0
   15.1757    8.6520    9.6129 H   0  0  0  0  0
   17.9220    7.0845    8.6440 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  8 44  1  0  0  0
  8 45  1  0  0  0
  9 10  2  0  0  0
  9 46  1  0  0  0
 10 11  1  0  0  0
 10 47  1  0  0  0
 11 12  1  0  0  0
 11 48  1  0  0  0
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 14 15  1  0  0  0
 14 54  1  0  0  0
 14 55  1  0  0  0
 15 16  1  0  0  0
 15 56  1  0  0  0
 15 57  1  0  0  0
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 16 59  1  0  0  0
 17 18  1  0  0  0
 17 60  1  0  0  0
 17 61  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 62  1  0  0  0
 21 22  1  0  0  0
 21 63  1  0  0  0
 21 64  1  0  0  0
 22 23  1  0  0  0
 22 65  1  0  0  0
 22 66  1  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
 23 67  1  0  0  0
 25 28  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 68  1  0  0  0
 28 69  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL117663

>  <PubChem CID>
44343880

>  <Formula>
C21H41FNO4P

>  <Molecular Weight>
421.534000

>  <IUPAC Name>
[1-fluoro-3-[[(Z)-octadec-9-enoyl]amino]propyl]phosphonic acid

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCCCCC=CCCCCCCCC(=O)NCCC(F)P(=O)(O)O

>  <Isomeric SMILES>
CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(F)P(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C21H41FNO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-19-18-20(22)28(25,26)27/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H2,25,26,27)/b10-9-

>  <InChI Key>
FZRVIHRVKSRALK-KTKRTIGZSA-N

