PC(18:3(6Z,9Z,12Z)/20:1(13Z))
  Mrv1652303302022272D          

 57 56  0  0  0  0            999 V2000
   17.2904  -10.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5851  -10.5970    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.8800  -10.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9955  -10.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1748  -10.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5851  -11.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7007  -10.1899    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.1079  -10.8951    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.2936   -9.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4058   -9.7827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1110  -10.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8162   -9.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5214  -10.1899    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   21.1142  -10.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1740   -9.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2266  -10.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3743  -11.1474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4603  -10.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4603   -9.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7462  -10.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0321  -10.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3179  -10.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6038  -10.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8897  -10.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0647  -10.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3506  -10.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6365  -10.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8115  -10.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0973  -10.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3832  -10.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5582  -10.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441  -10.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300  -10.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4158  -10.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7017  -10.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9876  -10.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8707  -11.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8707  -12.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1566  -11.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4425  -11.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7283  -11.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0142  -11.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3001  -11.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5860  -11.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8719  -11.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1577  -11.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4436  -11.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7295  -11.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0154  -11.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3012  -11.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4762  -11.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7621  -11.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0480  -11.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3339  -11.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6198  -11.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056  -11.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1915  -11.8237    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
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  6  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  5 18  1  0  0  0  0
  6 37  1  0  0  0  0
  2 17  1  1  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  2  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
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  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
M  CHG  2   8  -1  13   1
M  END
> <DATABASE_ID>
CDB003185

> <DATABASE_NAME>
CDB

> <SMILES>
[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15-18,21,24,28,30,44H,6-14,19-20,22-23,25-27,29,31-43H2,1-5H3/b17-15-,18-16-,24-21-,30-28-/t44-/m1/s1

> <INCHI_KEY>
DTTXKVMHUCYAMC-HUQPMSKCSA-N

> <FORMULA>
C46H84NO8P

> <MOLECULAR_WEIGHT>
810.151

> <EXACT_MASS>
809.593455667

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
140

> <JCHEM_AVERAGE_POLARIZABILITY>
97.61969082751162

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-{[(2R)-2-[(13Z)-icos-13-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium

> <ALOGPS_LOGP>
6.04

> <JCHEM_LOGP>
9.333521742528253

> <ALOGPS_LOGS>
-7.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8550572064469115

> <JCHEM_PKA_STRONGEST_BASIC>
-6.744160265632107

> <JCHEM_POLAR_SURFACE_AREA>
111.19

> <JCHEM_REFRACTIVITY>
247.93750000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
42

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.87e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2-{[(2R)-2-[(13Z)-icos-13-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB003185

> <GENERIC_NAME>
PC(18:3(6Z,9Z,12Z)/20:1(13Z))

$$$$