1,2-didecanoyl-3-9Z-tricosanoyl-sn-glycerol TG(10:0/10:0/23:1(9Z))
  Mrv1652306231617532D          

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M  END
> <DATABASE_ID>
YMDB15645

> <DATABASE_NAME>
YMDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C46H86O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-26-27-28-31-33-36-39-45(48)51-42-43(52-46(49)40-37-34-30-15-12-9-6-3)41-50-44(47)38-35-32-29-14-11-8-5-2/h24-25,43H,4-23,26-42H2,1-3H3/b25-24-/t43-/m0/s1

> <INCHI_KEY>
RRYSSTJATOCVHP-OXYXOPFUSA-N

> <FORMULA>
C46H86O6

> <MOLECULAR_WEIGHT>
735.188

> <EXACT_MASS>
734.642440489

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
138

> <JCHEM_AVERAGE_POLARIZABILITY>
96.92351842173633

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2,3-bis(decanoyloxy)propyl (9Z)-tricos-9-enoate

> <ALOGPS_LOGP>
10.42

> <JCHEM_LOGP>
16.339382702666665

> <ALOGPS_LOGS>
-7.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.565867985366684

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
219.40189999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
44

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.13e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2,3-bis(decanoyloxy)propyl (9Z)-tricos-9-enoate

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB15645

> <GENERIC_NAME>
TG(10:0/10:0/23:1(9Z))

$$$$