
 CHEMBL190349

 42 41  0  0  0  0  0  0  0  0999 V2000
    4.4874   -1.4854    1.3200 C   0  0  0  0  0
    3.3935   -0.4950    0.9545 C   0  0  0  0  0
    3.8891    0.9189    1.0400 C   0  0  0  0  0
    4.2708    1.6392   -0.0262 C   0  0  0  0  0
    4.7800    3.0487    0.0568 C   0  0  0  0  0
    6.3058    3.0862   -0.0402 C   0  0  0  0  0
    6.8303    4.5223   -0.0148 C   0  0  0  0  0
    8.3595    4.5543   -0.0204 C   0  0  0  0  0
    8.8834    5.9907   -0.0257 C   0  0  0  0  0
   10.4121    6.0277   -0.0007 C   0  0  0  0  0
   10.9294    7.4642   -0.0163 C   0  0  0  0  0
   12.4507    7.5173    0.0168 C   0  0  0  0  0
   12.8537    8.8774    0.0006 O   0  0  0  0  0
   14.4267    9.1528   -0.0381 P   0  0  0  0  0
   15.2600    8.4956    1.0050 O   0  0  0  0  0
   14.8541    8.8870   -1.5503 O   0  0  0  0  0
   14.5370   10.7450    0.0187 O   0  0  0  0  0
    4.0986   -2.5079    1.2879 H   0  0  0  0  0
    4.8743   -1.2997    2.3274 H   0  0  0  0  0
    5.3251   -1.4216    0.6167 H   0  0  0  0  0
    2.5437   -0.6127    1.6368 H   0  0  0  0  0
    3.0213   -0.7170   -0.0526 H   0  0  0  0  0
    3.9431    1.3554    2.0357 H   0  0  0  0  0
    4.2338    1.1948   -1.0188 H   0  0  0  0  0
    4.4554    3.5204    0.9923 H   0  0  0  0  0
    4.3330    3.6295   -0.7588 H   0  0  0  0  0
    6.6366    2.5926   -0.9629 H   0  0  0  0  0
    6.7396    2.5234    0.7965 H   0  0  0  0  0
    6.4577    5.0363    0.8795 H   0  0  0  0  0
    6.4454    5.0670   -0.8854 H   0  0  0  0  0
    8.7373    4.0216   -0.9016 H   0  0  0  0  0
    8.7397    4.0276    0.8635 H   0  0  0  0  0
    8.4896    6.5291    0.8450 H   0  0  0  0  0
    8.5176    6.5104   -0.9197 H   0  0  0  0  0
   10.8082    5.4843   -0.8671 H   0  0  0  0  0
   10.7773    5.5149    0.8975 H   0  0  0  0  0
   10.5284    8.0214    0.8397 H   0  0  0  0  0
   10.5677    7.9876   -0.9103 H   0  0  0  0  0
   12.8721    7.0040   -0.8541 H   0  0  0  0  0
   12.8316    7.0412    0.9265 H   0  0  0  0  0
   14.4774    9.5711   -2.1316 H   0  0  0  0  0
   14.6645   11.0347    0.9414 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 14 17  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 41  1  0  0  0
 17 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL190349

>  <PubChem CID>
11219269

>  <Formula>
C12H25O4P

>  <Molecular Weight>
264.302000

>  <IUPAC Name>
[(E)-dodec-9-enyl] dihydrogen phosphate

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC=CCCCCCCCCOP(=O)(O)O

>  <Isomeric SMILES>
CC/C=C/CCCCCCCCOP(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C12H25O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-4H,2,5-12H2,1H3,(H2,13,14,15)/b4-3+

>  <InChI Key>
FSJUVXSBVQARLY-ONEGZZNKSA-N

