
 CHEMBL262560

 65 64  0  0  0  0  0  0  0  0999 V2000
   15.8874   -0.5590   -3.7370 C   0  0  0  0  0
   14.6533    0.1428   -3.1937 C   0  0  0  0  0
   13.9228    0.9211   -4.2879 C   0  0  0  0  0
   12.6908    1.6354   -3.7297 C   0  0  0  0  0
   11.9750    2.4437   -4.8131 C   0  0  0  0  0
   10.7889    3.1698   -4.2454 C   0  0  0  0  0
   10.7807    4.4899   -4.0016 C   0  0  0  0  0
    9.6258    5.2435   -3.4113 C   0  0  0  0  0
    9.9025    5.6020   -1.9804 C   0  0  0  0  0
   10.3340    6.8078   -1.5738 C   0  0  0  0  0
   10.6434    7.1571   -0.1479 C   0  0  0  0  0
   12.1236    7.1360    0.0953 C   0  0  0  0  0
   12.8880    8.2335    0.2173 C   0  0  0  0  0
   14.3740    8.2032    0.4218 C   0  0  0  0  0
   15.0887    8.4571   -0.8721 C   0  0  0  0  0
   15.7578    9.5818   -1.1706 C   0  0  0  0  0
   16.4518    9.7975   -2.4829 C   0  0  0  0  0
   15.7365   10.8513   -3.3287 C   0  0  0  0  0
   16.4195   11.0023   -4.6810 C   0  0  0  0  0
   15.7242   12.0298   -5.5336 C   0  0  0  0  0
   14.6110   11.8844   -6.0200 O   0  0  0  0  0
   16.5284   13.1099   -5.7265 O   0  0  0  0  0
   16.0285   14.1184   -6.6151 C   0  0  0  0  0
   16.6745   14.0050   -7.9994 C   0  0  0  0  0
   16.4166   12.6612   -8.6905 C   0  0  0  0  0
   17.0535   12.6520   -9.9698 O   0  0  0  0  0
   16.1984   15.0530   -8.8596 O   0  0  0  0  0
   16.3914   -1.1115   -2.9379 H   0  0  0  0  0
   16.5984    0.1629   -4.1513 H   0  0  0  0  0
   15.6196   -1.2697   -4.5253 H   0  0  0  0  0
   14.9536    0.8243   -2.3892 H   0  0  0  0  0
   13.9797   -0.6016   -2.7535 H   0  0  0  0  0
   13.6197    0.2364   -5.0891 H   0  0  0  0  0
   14.6049    1.6568   -4.7315 H   0  0  0  0  0
   12.9970    2.3027   -2.9137 H   0  0  0  0  0
   12.0020    0.8981   -3.2984 H   0  0  0  0  0
   11.6304    1.7802   -5.6152 H   0  0  0  0  0
   12.6760    3.1523   -5.2712 H   0  0  0  0  0
    9.9120    2.5695   -4.0132 H   0  0  0  0  0
   11.6680    5.0815   -4.2205 H   0  0  0  0  0
    8.7021    4.6544   -3.4559 H   0  0  0  0  0
    9.4457    6.1420   -4.0140 H   0  0  0  0  0
    9.7612    4.8066   -1.2519 H   0  0  0  0  0
   10.5035    7.5942   -2.3070 H   0  0  0  0  0
   10.1627    6.4548    0.5435 H   0  0  0  0  0
   10.2197    8.1439    0.0733 H   0  0  0  0  0
   12.5844    6.1511    0.1465 H   0  0  0  0  0
   12.4341    9.2191    0.1391 H   0  0  0  0  0
   14.6967    7.2322    0.8167 H   0  0  0  0  0
   14.6437    8.9484    1.1793 H   0  0  0  0  0
   15.0314    7.6547   -1.6062 H   0  0  0  0  0
   15.8108   10.3907   -0.4451 H   0  0  0  0  0
   16.5135    8.8563   -3.0435 H   0  0  0  0  0
   17.4836   10.1122   -2.2856 H   0  0  0  0  0
   15.7297   11.8163   -2.8056 H   0  0  0  0  0
   14.6856   10.5688   -3.4745 H   0  0  0  0  0
   16.4167   10.0566   -5.2358 H   0  0  0  0  0
   17.4706   11.2845   -4.5487 H   0  0  0  0  0
   16.2849   15.0910   -6.1783 H   0  0  0  0  0
   14.9337   14.1151   -6.6871 H   0  0  0  0  0
   17.7583   14.1433   -7.9089 H   0  0  0  0  0
   15.3463   12.5052   -8.8588 H   0  0  0  0  0
   16.8149   11.8218   -8.1146 H   0  0  0  0  0
   16.9810   13.5625  -10.3174 H   0  0  0  0  0
   15.2343   14.9453   -8.9552 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  2  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 10  2  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 11 12  1  0  0  0
 11 45  1  0  0  0
 11 46  1  0  0  0
 12 13  2  0  0  0
 12 47  1  0  0  0
 13 14  1  0  0  0
 13 48  1  0  0  0
 14 15  1  0  0  0
 14 49  1  0  0  0
 14 50  1  0  0  0
 15 16  2  0  0  0
 15 51  1  0  0  0
 16 17  1  0  0  0
 16 52  1  0  0  0
 17 18  1  0  0  0
 17 53  1  0  0  0
 17 54  1  0  0  0
 18 19  1  0  0  0
 18 55  1  0  0  0
 18 56  1  0  0  0
 19 20  1  0  0  0
 19 57  1  0  0  0
 19 58  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 59  1  0  0  0
 23 60  1  0  0  0
 24 27  1  0  0  0
 24 25  1  0  0  0
 24 61  1  0  0  0
 25 26  1  0  0  0
 25 62  1  0  0  0
 25 63  1  0  0  0
 26 64  1  0  0  0
 27 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL262560

>  <PubChem CID>
40490622

>  <Formula>
C23H38O4

>  <Molecular Weight>
378.553000

>  <IUPAC Name>
[(2R)-2,3-dihydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

>  <XlogP>
5.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC(CO)O

>  <Isomeric SMILES>
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](CO)O

>  <InChI Std. ID>
InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-/t22-/m1/s1

>  <InChI Key>
DCPCOKIYJYGMDN-NZRYSPDRSA-N

