DG(14:1n5/0:0/18:4n3)
  Mrv1652304052007562D          

 41 40  0  0  1  0            999 V2000
   24.1443   -6.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1832   -7.0352    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.2219   -6.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1442   -5.3703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2606   -7.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4330   -8.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9384   -8.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4298   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4298   -4.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7156   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0015   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2873   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5732   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8591   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0341   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3199   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6058   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7807   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0666   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3525   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5275   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8133   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0992   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2742   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5600   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8459   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5462   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5462   -5.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8320   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1179   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4038   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6897   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8646   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1505   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4363   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7222   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0081   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2939   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5798   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8657   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1515   -6.6227    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  7  1  1  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  3  1  0  0  0  0
  8  9  2  0  0  0  0
  8 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
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27  5  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  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
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0096466

> <DATABASE_NAME>
bmdb

> <SMILES>
[H][C@](O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/CCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C35H58O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,20-23,33,36H,3-4,6,8-10,12,14-15,18-19,24-32H2,1-2H3/b7-5-,13-11-,17-16-,22-20-,23-21-/t33-/m1/s1

> <INCHI_KEY>
JXOBLOUJGKKGGQ-BSXPULOESA-N

> <FORMULA>
C35H58O5

> <MOLECULAR_WEIGHT>
558.844

> <EXACT_MASS>
558.428424968

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
98

> <JCHEM_AVERAGE_POLARIZABILITY>
68.85019557721154

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-hydroxy-3-[(5Z)-tetradec-5-enoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

> <ALOGPS_LOGP>
8.14

> <JCHEM_LOGP>
10.193485498666664

> <ALOGPS_LOGS>
-7.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.631221426182794

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3975037481876447

> <JCHEM_POLAR_SURFACE_AREA>
72.83

> <JCHEM_REFRACTIVITY>
173.2819

> <JCHEM_ROTATABLE_BOND_COUNT>
29

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.88e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-hydroxy-3-[(5Z)-tetradec-5-enoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0096466

> <GENERIC_NAME>
DG(14:1n5/0:0/18:4n3)

$$$$