
 1-palmitoyl-sn-glycerol 3-phosphate

 66 65  0  0  0  0  0  0  0  0999 V2000
    0.8072   -0.3128    0.1123 C   0  0  0  0  0
    2.3240   -0.2532    0.1931 C   0  0  0  0  0
    2.8378    1.1829    0.0896 C   0  0  0  0  0
    4.3650    1.2280    0.1575 C   0  0  0  0  0
    4.8883    2.6638    0.0960 C   0  0  0  0  0
    6.4171    2.6944    0.1334 C   0  0  0  0  0
    6.9495    4.1268    0.0882 C   0  0  0  0  0
    8.4788    4.1492    0.1010 C   0  0  0  0  0
    9.0123    5.5814    0.0758 C   0  0  0  0  0
   10.5413    5.6066    0.0519 C   0  0  0  0  0
   11.0659    7.0421    0.0382 C   0  0  0  0  0
   12.5924    7.0823   -0.0441 C   0  0  0  0  0
   13.0970    8.5248   -0.0613 C   0  0  0  0  0
   14.6168    8.5927   -0.2074 C   0  0  0  0  0
   15.0888   10.0407   -0.2438 C   0  0  0  0  0
   16.5794   10.1235   -0.4435 C   0  0  0  0  0
   17.4104    9.6819    0.3394 O   0  0  0  0  0
   16.8679   10.8016   -1.5878 O   0  0  0  0  0
   18.2598   11.0016   -1.8746 C   0  0  0  0  0
   18.7021   12.4300   -1.5355 C   0  0  0  0  0
   18.5114   12.7764   -0.0535 C   0  0  0  0  0
   18.8483   14.1427    0.1634 O   0  0  0  0  0
   18.7331   14.6630    1.6684 P   0  0  0  0  0
   17.4429   14.4213    2.3699 O   0  0  0  0  0
   20.0410   14.1186    2.3971 O   0  0  0  0  0
   19.0773   16.2190    1.5785 O   0  0  0  0  0
   20.0756   12.5940   -1.9172 O   0  0  0  0  0
    0.4629   -1.3462    0.2206 H   0  0  0  0  0
    0.4513    0.0643   -0.8517 H   0  0  0  0  0
    0.3472    0.2836    0.9066 H   0  0  0  0  0
    2.7510   -0.8618   -0.6126 H   0  0  0  0  0
    2.6505   -0.6958    1.1414 H   0  0  0  0  0
    2.4143    1.7839    0.9034 H   0  0  0  0  0
    2.4984    1.6295   -0.8530 H   0  0  0  0  0
    4.7848    0.6477   -0.6732 H   0  0  0  0  0
    4.7060    0.7551    1.0865 H   0  0  0  0  0
    4.4872    3.2376    0.9403 H   0  0  0  0  0
    4.5332    3.1474   -0.8221 H   0  0  0  0  0
    6.8154    2.1276   -0.7171 H   0  0  0  0  0
    6.7727    2.2004    1.0458 H   0  0  0  0  0
    6.5652    4.6891    0.9479 H   0  0  0  0  0
    6.5830    4.6277   -0.8162 H   0  0  0  0  0
    8.8606    3.5987   -0.7675 H   0  0  0  0  0
    8.8482    3.6361    0.9972 H   0  0  0  0  0
    8.6485    6.1243    0.9566 H   0  0  0  0  0
    8.6241    6.1025   -0.8080 H   0  0  0  0  0
   10.9030    5.0731   -0.8355 H   0  0  0  0  0
   10.9346    5.0797    0.9297 H   0  0  0  0  0
   10.7318    7.5632    0.9438 H   0  0  0  0  0
   10.6403    7.5794   -0.8183 H   0  0  0  0  0
   12.9248    6.5642   -0.9517 H   0  0  0  0  0
   13.0251    6.5496    0.8112 H   0  0  0  0  0
   12.7943    9.0297    0.8644 H   0  0  0  0  0
   12.6269    9.0662   -0.8915 H   0  0  0  0  0
   14.9270    8.0803   -1.1266 H   0  0  0  0  0
   15.0966    8.0636    0.6251 H   0  0  0  0  0
   14.8461   10.5637    0.6881 H   0  0  0  0  0
   14.5817   10.5810   -1.0523 H   0  0  0  0  0
   18.3954   10.8285   -2.9489 H   0  0  0  0  0
   18.9027   10.2623   -1.3809 H   0  0  0  0  0
   18.1224   13.1411   -2.1353 H   0  0  0  0  0
   19.1620   12.1555    0.5718 H   0  0  0  0  0
   17.4710   12.6321    0.2510 H   0  0  0  0  0
   20.8297   14.5760    2.0550 H   0  0  0  0  0
   18.2552   16.7421    1.6308 H   0  0  0  0  0
   20.6319   12.1879   -1.2302 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  1  0  0  0
  9 45  1  0  0  0
  9 46  1  0  0  0
 10 11  1  0  0  0
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 10 48  1  0  0  0
 11 12  1  0  0  0
 11 49  1  0  0  0
 11 50  1  0  0  0
 12 13  1  0  0  0
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 12 52  1  0  0  0
 13 14  1  0  0  0
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 14 15  1  0  0  0
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 14 56  1  0  0  0
 15 16  1  0  0  0
 15 57  1  0  0  0
 15 58  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
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 19 60  1  0  0  0
 20 27  1  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
 23 26  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 64  1  0  0  0
 26 65  1  0  0  0
 27 66  1  0  0  0
M  END

>  <Chemical Name>
1-palmitoyl-sn-glycerol 3-phosphate

>  <PubChem CID>
6419701

>  <Formula>
C19H39O7P

>  <Molecular Weight>
410.488000

>  <IUPAC Name>
[(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O

>  <InChI Std. ID>
InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1

>  <InChI Key>
YNDYKPRNFWPPFU-GOSISDBHSA-N

