PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
  Mrv1652309121719402D          

 58 57  0  0  1  0            999 V2000
   19.3839   -5.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7088   -5.9135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0337   -5.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0590   -5.9135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3586   -5.9135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1819   -6.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7340   -5.5239    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   20.3443   -4.8487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1238   -6.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4092   -5.1341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0843   -5.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7594   -5.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4345   -5.5239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2965   -6.7228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6440   -5.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6440   -4.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9299   -5.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2157   -5.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5016   -5.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6766   -5.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -5.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2484   -5.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4234   -5.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7093   -5.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9952   -5.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1702   -5.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4561   -5.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7420   -5.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9170   -5.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2028   -5.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4887   -5.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6637   -5.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9496   -5.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2355   -5.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4105   -5.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6964   -5.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9823   -5.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4675   -7.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4675   -7.8771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7534   -6.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0392   -7.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3251   -6.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6110   -7.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7860   -7.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0719   -6.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3578   -7.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5328   -7.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8187   -6.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1046   -7.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2796   -7.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655   -6.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8513   -7.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0263   -7.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3122   -6.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -7.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8840   -6.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1699   -7.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4558   -6.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  1  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  5 15  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 38  6  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0009696

> <DATABASE_NAME>
bmdb

> <SMILES>
[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,26-29,32-35,45H,3-4,6,8-10,15-16,21,23,25,30-31,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t45-/m1/s1

> <INCHI_KEY>
ZEMOTHAYXPPBGC-MDRPQKQBSA-N

> <FORMULA>
C47H74NO8P

> <MOLECULAR_WEIGHT>
812.0661

> <EXACT_MASS>
811.515204861

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
131

> <JCHEM_AVERAGE_POLARIZABILITY>
92.18323546443094

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-aminoethoxy)[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy]phosphinic acid

> <ALOGPS_LOGP>
8.07

> <JCHEM_LOGP>
11.277385442470088

> <ALOGPS_LOGS>
-6.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8688003136537077

> <JCHEM_PKA_STRONGEST_BASIC>
9.999929336362278

> <JCHEM_POLAR_SURFACE_AREA>
134.38

> <JCHEM_REFRACTIVITY>
248.1799000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
39

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.45e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-aminoethoxy((2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0009696

> <GENERIC_NAME>
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))

$$$$