
 NAEPA

 67 66  0  0  0  0  0  0  0  0999 V2000
   12.6581   -4.3651    2.0184 C   0  0  0  0  0
   11.5638   -3.4310    1.5272 C   0  0  0  0  0
   11.9318   -1.9662    1.7602 C   0  0  0  0  0
   10.8264   -1.0309    1.2683 C   0  0  0  0  0
   11.2030    0.4351    1.4854 C   0  0  0  0  0
   10.1078    1.3739    0.9758 C   0  0  0  0  0
   10.5003    2.8373    1.1789 C   0  0  0  0  0
    9.4453    3.7865    0.6083 C   0  0  0  0  0
    9.8647    5.2157    0.8003 C   0  0  0  0  0
   10.3279    5.9944   -0.1887 C   0  0  0  0  0
   10.8046    7.4038    0.0142 C   0  0  0  0  0
   12.3321    7.4583   -0.0090 C   0  0  0  0  0
   12.8486    8.8827    0.1922 C   0  0  0  0  0
   14.3762    8.9045    0.2670 C   0  0  0  0  0
   14.9071   10.3284    0.4275 C   0  0  0  0  0
   16.4328   10.3423    0.5173 C   0  0  0  0  0
   16.9670   11.7694    0.5989 C   0  0  0  0  0
   18.4736   11.7971    0.4652 C   0  0  0  0  0
   19.2091   11.8400    1.4500 O   0  0  0  0  0
   19.0312   11.7342   -0.7786 N   0  0  0  0  0
   18.3671   11.7915   -2.0675 C   0  0  0  0  0
   18.1371   13.2188   -2.5551 C   0  0  0  0  0
   17.4259   13.1744   -3.7826 O   0  0  0  0  0
   17.1071   14.5823   -4.4656 P   0  0  0  0  0
   16.4255   15.6039   -3.6264 O   0  0  0  0  0
   18.4700   15.0315   -5.1560 O   0  0  0  0  0
   16.2433   14.1984   -5.7521 O   0  0  0  0  0
   12.3765   -5.4071    1.8371 H   0  0  0  0  0
   12.8268   -4.2407    3.0928 H   0  0  0  0  0
   13.6016   -4.1725    1.4976 H   0  0  0  0  0
   10.6283   -3.6677    2.0473 H   0  0  0  0  0
   11.3944   -3.6066    0.4585 H   0  0  0  0  0
   12.8682   -1.7359    1.2373 H   0  0  0  0  0
   12.1087   -1.7961    2.8291 H   0  0  0  0  0
    9.8926   -1.2529    1.7990 H   0  0  0  0  0
   10.6427   -1.2084    0.2016 H   0  0  0  0  0
   12.1430    0.6522    0.9637 H   0  0  0  0  0
   11.3767    0.6171    2.5531 H   0  0  0  0  0
    9.1683    1.1681    1.5028 H   0  0  0  0  0
    9.9304    1.1845   -0.0898 H   0  0  0  0  0
   11.4655    3.0257    0.6910 H   0  0  0  0  0
   10.6406    3.0340    2.2495 H   0  0  0  0  0
    8.4828    3.6305    1.1096 H   0  0  0  0  0
    9.2869    3.5711   -0.4553 H   0  0  0  0  0
    9.8075    5.6058    1.8149 H   0  0  0  0  0
   10.4031    5.5979   -1.1997 H   0  0  0  0  0
   10.4318    7.8038    0.9653 H   0  0  0  0  0
   10.3879    8.0354   -0.7792 H   0  0  0  0  0
   12.7060    7.0663   -0.9636 H   0  0  0  0  0
   12.7340    6.8104    0.7806 H   0  0  0  0  0
   12.4318    9.3022    1.1158 H   0  0  0  0  0
   12.5073    9.5165   -0.6353 H   0  0  0  0  0
   14.7948    8.4577   -0.6432 H   0  0  0  0  0
   14.7109    8.2898    1.1116 H   0  0  0  0  0
   14.4814   10.7853    1.3292 H   0  0  0  0  0
   14.5828   10.9343   -0.4273 H   0  0  0  0  0
   16.8568    9.8197   -0.3477 H   0  0  0  0  0
   16.7594    9.7814    1.4019 H   0  0  0  0  0
   16.7013   12.2193    1.5633 H   0  0  0  0  0
   16.5184   12.4073   -0.1688 H   0  0  0  0  0
   20.0448   11.7630   -0.7580 H   0  0  0  0  0
   17.4149   11.2549   -2.0262 H   0  0  0  0  0
   18.9968   11.2513   -2.7833 H   0  0  0  0  0
   19.0957   13.7283   -2.7047 H   0  0  0  0  0
   17.5574   13.7902   -1.8231 H   0  0  0  0  0
   18.6594   14.4727   -5.9308 H   0  0  0  0  0
   15.2980   14.3690   -5.5777 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 10  2  0  0  0
  9 45  1  0  0  0
 10 11  1  0  0  0
 10 46  1  0  0  0
 11 12  1  0  0  0
 11 47  1  0  0  0
 11 48  1  0  0  0
 12 13  1  0  0  0
 12 49  1  0  0  0
 12 50  1  0  0  0
 13 14  1  0  0  0
 13 51  1  0  0  0
 13 52  1  0  0  0
 14 15  1  0  0  0
 14 53  1  0  0  0
 14 54  1  0  0  0
 15 16  1  0  0  0
 15 55  1  0  0  0
 15 56  1  0  0  0
 16 17  1  0  0  0
 16 57  1  0  0  0
 16 58  1  0  0  0
 17 18  1  0  0  0
 17 59  1  0  0  0
 17 60  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 61  1  0  0  0
 21 22  1  0  0  0
 21 62  1  0  0  0
 21 63  1  0  0  0
 22 23  1  0  0  0
 22 64  1  0  0  0
 22 65  1  0  0  0
 23 24  1  0  0  0
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 66  1  0  0  0
 27 67  1  0  0  0
M  END

>  <Chemical Name>
NAEPA

>  <PubChem CID>
44343825

>  <Formula>
C20H40NO5P

>  <Molecular Weight>
405.516000

>  <IUPAC Name>
2-[[(Z)-octadec-9-enoyl]amino]ethyl dihydrogen phosphate

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCCCCC=CCCCCCCCC(=O)NCCOP(=O)(O)O

>  <Isomeric SMILES>
CCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C20H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26-27(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H2,23,24,25)/b10-9-

>  <InChI Key>
BCSUWOZFWWBYSX-KTKRTIGZSA-N

