
 Dioleoylphosphatidic acid

121120  0  0  0  0  0  0  0  0999 V2000
    8.6679    0.4878   -6.0651 C   0  0  0  0  0
    8.0054    1.8500   -6.1939 C   0  0  0  0  0
    8.5763    2.8482   -5.1871 C   0  0  0  0  0
    7.9042    4.2156   -5.3193 C   0  0  0  0  0
    8.4875    5.2199   -4.3249 C   0  0  0  0  0
    7.8276    6.5923   -4.4685 C   0  0  0  0  0
    8.4316    7.6005   -3.4904 C   0  0  0  0  0
    7.8170    8.9898   -3.6683 C   0  0  0  0  0
    8.4436    9.9727   -2.7216 C   0  0  0  0  0
    9.2922   10.9384   -3.1064 C   0  0  0  0  0
    9.9507   11.8999   -2.1599 C   0  0  0  0  0
   11.4394   11.5800   -2.0149 C   0  0  0  0  0
   12.1348   12.5673   -1.0774 C   0  0  0  0  0
   13.6073   12.2013   -0.8839 C   0  0  0  0  0
   14.3125   13.2055    0.0275 C   0  0  0  0  0
   15.7764   12.8247    0.2496 C   0  0  0  0  0
   16.4816   13.8502    1.1308 C   0  0  0  0  0
   17.8988   13.4454    1.4434 C   0  0  0  0  0
   18.3322   13.2916    2.5763 O   0  0  0  0  0
   18.6385   13.3496    0.3052 O   0  0  0  0  0
   20.0189   12.9735    0.4687 C   0  0  0  0  0
   20.9349   14.2049    0.4292 C   0  0  0  0  0
   20.8242   15.0984    1.6726 C   0  0  0  0  0
   21.6801   16.2276    1.5139 O   0  0  0  0  0
   21.2046   17.5912    2.1947 P   0  0  0  0  0
   19.9046   18.1486    1.7317 O   0  0  0  0  0
   21.3528   17.3574    3.7624 O   0  0  0  0  0
   22.4125   18.5995    1.9239 O   0  0  0  0  0
   22.3127   13.8499    0.1380 O   0  0  0  0  0
   22.9970   13.0944    1.0343 C   0  0  0  0  0
   22.5333   12.6136    2.0570 O   0  0  0  0  0
   24.4369   12.9572    0.6181 C   0  0  0  0  0
   25.2395   14.1599    1.0991 C   0  0  0  0  0
   26.7311   13.9871    0.8147 C   0  0  0  0  0
   27.5274   15.2023    1.2909 C   0  0  0  0  0
   29.0299   15.0043    1.0837 C   0  0  0  0  0
   29.8139   16.2335    1.5453 C   0  0  0  0  0
   31.3231   16.0138    1.4308 C   0  0  0  0  0
   32.0710   17.2424    1.8622 C   0  0  0  0  0
   32.7633   17.3338    3.0083 C   0  0  0  0  0
   33.4817   18.5764    3.4508 C   0  0  0  0  0
   32.7632   19.2275    4.6339 C   0  0  0  0  0
   33.4667   20.5112    5.0770 C   0  0  0  0  0
   32.7157   21.1855    6.2264 C   0  0  0  0  0
   33.4027   22.4829    6.6544 C   0  0  0  0  0
   32.6439   23.1643    7.7943 C   0  0  0  0  0
   33.3205   24.4707    8.2083 C   0  0  0  0  0
   32.5725   25.1502    9.3441 C   0  0  0  0  0
    8.2467   -0.2089   -6.7965 H   0  0  0  0  0
    8.5108    0.0682   -5.0663 H   0  0  0  0  0
    9.7457    0.5572   -6.2435 H   0  0  0  0  0
    6.9257    1.7412   -6.0395 H   0  0  0  0  0
    8.1513    2.2256   -7.2135 H   0  0  0  0  0
    9.6567    2.9522   -5.3460 H   0  0  0  0  0
    8.4351    2.4660   -4.1687 H   0  0  0  0  0
    6.8256    4.1136   -5.1489 H   0  0  0  0  0
    8.0363    4.5920   -6.3410 H   0  0  0  0  0
    9.5678    5.3137   -4.4907 H   0  0  0  0  0
    8.3486    4.8498   -3.3019 H   0  0  0  0  0
    6.7493    6.5052   -4.2882 H   0  0  0  0  0
    7.9563    6.9546   -5.4958 H   0  0  0  0  0
    9.5166    7.6552   -3.6483 H   0  0  0  0  0
    8.2759    7.2521   -2.4614 H   0  0  0  0  0
    6.7383    8.9538   -3.4761 H   0  0  0  0  0
    7.9424    9.3209   -4.7064 H   0  0  0  0  0
    8.1927    9.8604   -1.6686 H   0  0  0  0  0
    9.5508   11.0420   -4.1585 H   0  0  0  0  0
    9.4670   11.8677   -1.1760 H   0  0  0  0  0
    9.8176   12.9177   -2.5450 H   0  0  0  0  0
   11.9255   11.6070   -2.9985 H   0  0  0  0  0
   11.5600   10.5603   -1.6270 H   0  0  0  0  0
   11.6284   12.5723   -0.1045 H   0  0  0  0  0
   12.0559   13.5808   -1.4891 H   0  0  0  0  0
   14.1114   12.1720   -1.8575 H   0  0  0  0  0
   13.6812   11.1962   -0.4512 H   0  0  0  0  0
   13.7954   13.2523    0.9937 H   0  0  0  0  0
   14.2564   14.2062   -0.4181 H   0  0  0  0  0
   16.2875   12.7480   -0.7178 H   0  0  0  0  0
   15.8369   11.8332    0.7155 H   0  0  0  0  0
   15.9474   13.9555    2.0825 H   0  0  0  0  0
   16.5001   14.8389    0.6589 H   0  0  0  0  0
   20.2648   12.3145   -0.3721 H   0  0  0  0  0
   20.1660   12.3688    1.3700 H   0  0  0  0  0
   20.6305   14.8214   -0.4265 H   0  0  0  0  0
   21.1271   14.5792    2.5853 H   0  0  0  0  0
   19.7925   15.4395    1.8001 H   0  0  0  0  0
   22.2859   17.2323    4.0095 H   0  0  0  0  0
   22.1884   19.1873    1.1782 H   0  0  0  0  0
   24.4929   12.8452   -0.4706 H   0  0  0  0  0
   24.8240   12.0267    1.0494 H   0  0  0  0  0
   25.0838   14.3008    2.1763 H   0  0  0  0  0
   24.8691   15.0698    0.6102 H   0  0  0  0  0
   26.8889   13.8427   -0.2609 H   0  0  0  0  0
   27.0974   13.0854    1.3202 H   0  0  0  0  0
   27.3274   15.3783    2.3551 H   0  0  0  0  0
   27.1935   16.0951    0.7482 H   0  0  0  0  0
   29.2369   14.8129    0.0239 H   0  0  0  0  0
   29.3626   14.1221    1.6440 H   0  0  0  0  0
   29.5555   16.4618    2.5874 H   0  0  0  0  0
   29.5151   17.1024    0.9451 H   0  0  0  0  0
   31.5951   15.7832    0.3941 H   0  0  0  0  0
   31.6187   15.1482    2.0361 H   0  0  0  0  0
   32.0170   18.1003    1.1947 H   0  0  0  0  0
   32.8098   16.4804    3.6821 H   0  0  0  0  0
   33.5579   19.2927    2.6236 H   0  0  0  0  0
   34.5068   18.3085    3.7325 H   0  0  0  0  0
   32.7175   18.5249    5.4757 H   0  0  0  0  0
   31.7272   19.4584    4.3538 H   0  0  0  0  0
   33.5358   21.2034    4.2290 H   0  0  0  0  0
   34.4917   20.2795    5.3906 H   0  0  0  0  0
   32.6571   20.4998    7.0804 H   0  0  0  0  0
   31.6865   21.4022    5.9148 H   0  0  0  0  0
   33.4665   23.1643    5.7973 H   0  0  0  0  0
   34.4297   22.2672    6.9734 H   0  0  0  0  0
   32.5903   22.4879    8.6561 H   0  0  0  0  0
   31.6132   23.3688    7.4796 H   0  0  0  0  0
   33.3686   25.1525    7.3512 H   0  0  0  0  0
   34.3515   24.2729    8.5239 H   0  0  0  0  0
   31.5449   25.3874    9.0508 H   0  0  0  0  0
   33.0711   26.0844    9.6207 H   0  0  0  0  0
   32.5379   24.5083   10.2301 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
Dioleoylphosphatidic acid

>  <PubChem CID>
9547172

>  <Formula>
C39H73O8P

>  <Molecular Weight>
700.979000

>  <IUPAC Name>
[2-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropyl] (Z)-octadec-9-enoate

>  <XlogP>
13.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC

>  <Isomeric SMILES>
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC

>  <InChI Std. ID>
InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17-,20-18-

>  <InChI Key>
MHUWZNTUIIFHAS-CLFAGFIQSA-N

