
 CHEMBL567724

 82 81  0  0  0  0  0  0  0  0999 V2000
    0.9036   -0.2463   -0.2831 C   0  0  0  0  0
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   12.7620    9.0806    0.9176 H   0  0  0  0  0
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   15.0802    8.2746   -0.9193 H   0  0  0  0  0
   15.1094    8.1697    0.8438 H   0  0  0  0  0
   14.7155   10.6273    1.0120 H   0  0  0  0  0
   14.6457   10.7491   -0.7462 H   0  0  0  0  0
   17.0083    9.9538   -0.9102 H   0  0  0  0  0
   17.0884    9.7887    0.8402 H   0  0  0  0  0
   16.6649   12.2436    1.1158 H   0  0  0  0  0
   16.5063   12.4323   -0.6208 H   0  0  0  0  0
   20.4622   12.4268   -2.4589 H   0  0  0  0  0
   20.8760   12.0271   -0.7929 H   0  0  0  0  0
   20.1332   14.3873   -0.1185 H   0  0  0  0  0
   19.7731   14.7335   -1.7800 H   0  0  0  0  0
   22.1927   14.3690   -2.3924 H   0  0  0  0  0
   22.5460   14.0194   -0.6801 H   0  0  0  0  0
   22.6421   17.5182   -3.0644 H   0  0  0  0  0
   24.8601   19.0978   -1.3464 H   0  0  0  0  0
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   23.2342   20.5876    0.0435 H   0  0  0  0  0
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   26.0111   20.6214    0.9733 H   0  0  0  0  0
   24.9856   21.8648    0.9480 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL567724

>  <PubChem CID>
44475675

>  <Formula>
C24H48NO8P

>  <Molecular Weight>
509.621000

>  <IUPAC Name>
(2S)-2-amino-3-[hydroxy(3-octadecanoyloxypropoxy)phosphoryl]oxypropanoic acid

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCCCCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCC(C(=O)O)N

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OC[C@@H](C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C24H48NO8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26)31-19-17-20-32-34(29,30)33-21-22(25)24(27)28/h22H,2-21,25H2,1H3,(H,27,28)(H,29,30)/t22-/m0/s1

>  <InChI Key>
BZWCJGOYMPDERD-QFIPXVFZSA-N

