Mrv1652310061800282D          

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M  END
> <DATABASE_ID>
BMDB0007016

> <DATABASE_NAME>
bmdb

> <SMILES>
[H]C(CCCCC)=C([H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@@]([H])(CO)COC(=O)CCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,33,36H,3-10,12,14-15,18-32H2,1-2H3/b13-11-,17-16-/t33-/m0/s1

> <INCHI_KEY>
WVBVUWWRPSWGDS-JWVBYZEHSA-N

> <FORMULA>
C35H64O5

> <MOLECULAR_WEIGHT>
564.8797

> <EXACT_MASS>
564.475375158

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
104

> <JCHEM_AVERAGE_POLARIZABILITY>
71.75316025637775

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate

> <ALOGPS_LOGP>
9.66

> <JCHEM_LOGP>
11.279250468666666

> <ALOGPS_LOGS>
-7.56

> <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>
169.93210000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
32

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.54e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diacylglycerol

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0007016

> <GENERIC_NAME>
DG(14:0/18:2(9Z,12Z)/0:0)

> <SYNONYMS>
1-myristoyl-2-linoleoyl-sn-glycerol; DAG(14:0/18:2); DAG(14:0/18:2n6); DAG(14:0/18:2w6); DAG(32:2); DG(14:0/18:2); DG(14:0/18:2n6); DG(14:0/18:2w6); DG(32:2); Diacylglycerol; Diacylglycerol(14:0/18:2); Diacylglycerol(14:0/18:2n6); Diacylglycerol(14:0/18:2w6); Diacylglycerol(32:2); Diglyceride

$$$$