
 CHEMBL188081

 36 35  0  0  0  0  0  0  0  0999 V2000
    0.9101    2.6923   -2.9618 C   0  0  0  0  0
    2.4209    2.5664   -2.8574 C   0  0  0  0  0
    2.9133    2.8522   -1.4381 C   0  0  0  0  0
    4.4345    2.7248   -1.3492 C   0  0  0  0  0
    4.9496    3.0618    0.0509 C   0  0  0  0  0
    6.4461    2.9418    0.0999 C   0  0  0  0  0
    7.2767    3.9957    0.0868 C   0  0  0  0  0
    8.7730    3.8787    0.0650 C   0  0  0  0  0
    9.3064    4.1550   -1.3388 C   0  0  0  0  0
   10.8238    4.0631   -1.3979 C   0  0  0  0  0
   11.2302    4.2837   -2.7394 O   0  0  0  0  0
   12.7941    4.1634   -3.0427 P   0  0  0  0  0
   13.7129    4.9971   -2.2235 O   0  0  0  0  0
   13.0890    2.5963   -3.0586 O   0  0  0  0  0
   12.9051    4.4926   -4.6016 O   0  0  0  0  0
    0.5837    2.4867   -3.9855 H   0  0  0  0  0
    0.5818    3.7022   -2.6969 H   0  0  0  0  0
    0.4106    1.9819   -2.2960 H   0  0  0  0  0
    2.8886    3.2655   -3.5603 H   0  0  0  0  0
    2.7202    1.5556   -3.1585 H   0  0  0  0  0
    2.4440    2.1534   -0.7349 H   0  0  0  0  0
    2.6096    3.8637   -1.1414 H   0  0  0  0  0
    4.8975    3.3981   -2.0828 H   0  0  0  0  0
    4.7326    1.7045   -1.6210 H   0  0  0  0  0
    4.5154    2.3799    0.7911 H   0  0  0  0  0
    4.6344    4.0748    0.3306 H   0  0  0  0  0
    6.8511    1.9318    0.1119 H   0  0  0  0  0
    6.8681    5.0041    0.0548 H   0  0  0  0  0
    9.0878    2.8810    0.3937 H   0  0  0  0  0
    9.1935    4.5948    0.7808 H   0  0  0  0  0
    8.9906    5.1488   -1.6830 H   0  0  0  0  0
    8.8754    3.4436   -2.0554 H   0  0  0  0  0
   11.1631    3.0731   -1.0754 H   0  0  0  0  0
   11.2804    4.8218   -0.7540 H   0  0  0  0  0
   12.6667    2.1833   -3.8328 H   0  0  0  0  0
   13.0945    5.4409   -4.7267 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  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  2  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 12 15  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL188081

>  <PubChem CID>
11276402

>  <Formula>
C10H21O4P

>  <Molecular Weight>
236.248000

>  <IUPAC Name>
[(E)-dec-4-enyl] dihydrogen phosphate

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCC=CCCCOP(=O)(O)O

>  <Isomeric SMILES>
CCCCC/C=C/CCCOP(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C10H21O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h6-7H,2-5,8-10H2,1H3,(H2,11,12,13)/b7-6+

>  <InChI Key>
KAHLDJCENUPBQU-VOTSOKGWSA-N

