1,2-didecanoyl-3-(5Z-hexacosenoyl)-sn-glycerol TG(10:0/10:0/26:1(5Z))
  Mrv1652306231618012D          

 56 55  0  0  1  0            999 V2000
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   15.2913   -8.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6897   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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
   10.4374   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7232   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0091   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
YMDB15717

> <DATABASE_NAME>
YMDB

> <SMILES>
[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCC\C=C/CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C49H92O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-36-39-42-48(51)54-45-46(55-49(52)43-40-37-33-15-12-9-6-3)44-53-47(50)41-38-35-32-14-11-8-5-2/h31,34,46H,4-30,32-33,35-45H2,1-3H3/b34-31-/t46-/m0/s1

> <INCHI_KEY>
OZLNTNUFYRVDIP-KRNPDENESA-N

> <FORMULA>
C49H92O6

> <MOLECULAR_WEIGHT>
777.269

> <EXACT_MASS>
776.689390682

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
147

> <JCHEM_AVERAGE_POLARIZABILITY>
103.57282703422557

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2,3-bis(decanoyloxy)propyl (5Z)-hexacos-5-enoate

> <ALOGPS_LOGP>
10.63

> <JCHEM_LOGP>
17.673088697666664

> <ALOGPS_LOGS>
-7.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.565907583651777

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
233.20489999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
47

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.15e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2,3-bis(decanoyloxy)propyl (5Z)-hexacos-5-enoate

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB15717

> <GENERIC_NAME>
TG(10:0/10:0/26:1(5Z))

$$$$