Mrv0541 02231221092D          

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   15.7925   -3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
BMDB0007184

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C36H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h13,15,34,37H,3-12,14,16-33H2,1-2H3/b15-13-/t34-/m0/s1

> <INCHI_KEY>
OVECXZSLQGXETR-SLGWWNDQSA-N

> <FORMULA>
C36H68O5

> <MOLECULAR_WEIGHT>
580.9221

> <EXACT_MASS>
580.506675286

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
75.95472549297787

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3-hydroxy-2-(pentadecanoyloxy)propyl (11Z)-octadec-11-enoate

> <ALOGPS_LOGP>
9.96

> <JCHEM_LOGP>
12.08574079033333

> <ALOGPS_LOGS>
-7.49

> <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>
173.4165

> <JCHEM_ROTATABLE_BOND_COUNT>
34

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.88e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diacylglycerol

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0007184

> <GENERIC_NAME>
DG(18:1(11Z)/15:0/0:0)

> <SYNONYMS>
1-vaccenoyl-2-pentadecanoyl-sn-glycerol; DAG(18:1/15:0); DAG(18:1n7/15:0); DAG(18:1w7/15:0); DAG(33:1); DG(18:1/15:0); DG(18:1n7/15:0); DG(18:1w7/15:0); DG(33:1); Diacylglycerol; Diacylglycerol(18:1/15:0); Diacylglycerol(18:1n7/15:0); Diacylglycerol(18:1w7/15:0); Diacylglycerol(33:1); Diglyceride

$$$$