PG(18:2(9Z,12Z)/20:0)
  Mrv1652303302023592D          

 57 56  0  0  0  0            999 V2000
   14.0371  -24.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621  -24.5487    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6869  -24.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7123  -24.5487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0118  -24.5487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8352  -25.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3874  -24.1590    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.9976  -23.4838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7772  -24.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0625  -23.7692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7376  -24.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4127  -23.7692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.0879  -24.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9498  -25.3580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7257  -23.7325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9890  -23.0842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8007  -23.0842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2973  -24.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2973  -23.3648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5831  -24.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8690  -24.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1549  -24.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4408  -24.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7266  -24.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125  -24.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2984  -24.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5843  -24.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7593  -24.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0452  -24.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310  -24.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5060  -24.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7919  -24.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0778  -24.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3637  -24.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3504  -24.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0646  -24.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1208  -25.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1208  -26.5122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4066  -25.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6925  -25.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9784  -25.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2643  -25.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5501  -25.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8360  -25.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1219  -25.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4078  -25.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6937  -25.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9795  -25.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2654  -25.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5513  -25.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8372  -25.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1231  -25.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4089  -25.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6948  -25.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0193  -25.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7334  -25.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4475  -25.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  2  6  1  6  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
  2 14  1  1  0  0  0
 13 15  1  0  0  0  0
 12 16  1  6  0  0  0
 12 17  1  1  0  0  0
  5 18  1  0  0  0  0
 37  6  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 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  1  0  0  0  0
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 46 47  1  0  0  0  0
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 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
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 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
M  END
> <DATABASE_ID>
CDB004459

> <DATABASE_NAME>
CDB

> <SMILES>
[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C44H83O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,41-42,45-46H,3-11,13,15-17,19-20,22-40H2,1-2H3,(H,49,50)/b14-12-,21-18-/t41-,42+/m0/s1

> <INCHI_KEY>
FVOMCRRUEOVCHO-GTYZSVKASA-N

> <FORMULA>
C44H83O10P

> <MOLECULAR_WEIGHT>
803.112

> <EXACT_MASS>
802.572385871

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
138

> <JCHEM_AVERAGE_POLARIZABILITY>
97.45908617973464

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2S)-2,3-dihydroxypropoxy][(2R)-2-(icosanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid

> <ALOGPS_LOGP>
8.85

> <JCHEM_LOGP>
12.880620195999999

> <ALOGPS_LOGS>
-7.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.641245576372423

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8907737771908404

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9689647678483633

> <JCHEM_POLAR_SURFACE_AREA>
148.82000000000002

> <JCHEM_REFRACTIVITY>
225.14810000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
44

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.07e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2,3-dihydroxypropoxy((2R)-2-(icosanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB004459

> <GENERIC_NAME>
PG(18:2(9Z,12Z)/20:0)

$$$$