
 CHEMBL133910

 72 72  0  0  0  0  0  0  0  0999 V2000
    8.1864   -3.2041    5.0402 C   0  0  0  0  0
    8.6796   -2.1621    4.0490 C   0  0  0  0  0
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    6.8727    0.5824    1.9775 C   0  0  0  0  0
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    8.0191    2.3150    1.3533 H   0  0  0  0  0
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    9.4836   -0.6275   -4.8295 H   0  0  0  0  0
   10.4125   -1.8247   -3.9133 H   0  0  0  0  0
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    3.2814   -8.0570    1.2298 H   0  0  0  0  0
    4.7139   -7.0421    1.3684 H   0  0  0  0  0
    6.0924   -9.0190    1.9652 H   0  0  0  0  0
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    7.5746   -1.4583   -5.5748 H   0  0  0  0  0
    9.1602   -1.3324   -0.9842 H   0  0  0  0  0
    5.4164    1.7815    0.4114 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL133910

>  <PubChem CID>
11133782

>  <Formula>
C23H43O5P

>  <Molecular Weight>
430.566000

>  <IUPAC Name>
butyl-[(Z)-6-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hex-4-enyl]phosphinic acid

>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCC(C=CC1C(CC(C1CC=CCCCP(=O)(CCCC)O)O)O)O

>  <Isomeric SMILES>
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCP(=O)(CCCC)O)O)O)O

>  <InChI Std. ID>
InChI=1S/C23H43O5P/c1-3-5-9-12-19(24)14-15-21-20(22(25)18-23(21)26)13-10-7-8-11-17-29(27,28)16-6-4-2/h7,10,14-15,19-26H,3-6,8-9,11-13,16-18H2,1-2H3,(H,27,28)/b10-7-,15-14+/t19-,20+,21+,22-,23+/m0/s1

>  <InChI Key>
FEWXWECWZNLKLR-NVTZDDNGSA-N

