Mrv0541 02231221092D          

 41 40  0  0  1  0            999 V2000
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   24.2875   -3.8314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.6124   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6378   -3.8314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9373   -3.8314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7607   -4.6110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8753   -4.6408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0767   -3.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7912   -3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5056   -3.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2201   -3.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9346   -3.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6491   -3.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3636   -3.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0780   -3.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7925   -3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5070   -3.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2214   -3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6504   -3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3649   -3.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0794   -3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7938   -3.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5083   -3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2228   -3.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2228   -2.5939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7580   -5.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4725   -4.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1870   -5.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9014   -4.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0449   -4.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0462   -5.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0462   -5.8486    0.0000 O   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
  2  7  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 23 22  1  0  0  0  0
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  5 25  1  0  0  0  0
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 31 32  2  0  0  0  0
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 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 40  6  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0007183

> <DATABASE_NAME>
bmdb

> <SMILES>
[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC

> <INCHI_IDENTIFIER>
InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12-13,15,33,36H,3-9,11,14,16-32H2,1-2H3/b12-10-,15-13-/t33-/m0/s1

> <INCHI_KEY>
DYCDNJCBFMRHHF-HEMZHSSGSA-N

> <FORMULA>
C35H64O5

> <MOLECULAR_WEIGHT>
564.8797

> <EXACT_MASS>
564.475375158

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
72.43482062821059

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3-hydroxy-2-[(9Z)-tetradec-9-enoyloxy]propyl (11Z)-octadec-11-enoate

> <ALOGPS_LOGP>
9.63

> <JCHEM_LOGP>
11.279250468666666

> <ALOGPS_LOGS>
-7.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.577784010572557

> <JCHEM_PKA_STRONGEST_BASIC>
-2.983477273775563

> <JCHEM_POLAR_SURFACE_AREA>
72.83

> <JCHEM_REFRACTIVITY>
169.9321

> <JCHEM_ROTATABLE_BOND_COUNT>
32

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.58e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diacylglycerol

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0007183

> <GENERIC_NAME>
DG(18:1(11Z)/14:1(9Z)/0:0)

> <SYNONYMS>
1-vaccenoyl-2-myristoleoyl-sn-glycerol; DAG(18:1/14:1); DAG(18:1n7/14:1n5); DAG(18:1w7/14:1w5); DAG(32:2); DG(18:1/14:1); DG(18:1n7/14:1n5); DG(18:1w7/14:1w5); DG(32:2); Diacylglycerol; Diacylglycerol(18:1/14:1); Diacylglycerol(18:1n7/14:1n5); Diacylglycerol(18:1w7/14:1w5); Diacylglycerol(32:2); Diglyceride

$$$$