Mrv0541 02231221022D          

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M  END
> <DATABASE_ID>
BMDB0007053

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,35,38H,3-9,14-15,18,21-34H2,1-2H3/b12-10-,13-11-,17-16-,20-19-/t35-/m0/s1

> <INCHI_KEY>
IUUIEXFKBNBZAX-WHJULUMISA-N

> <FORMULA>
C37H64O5

> <MOLECULAR_WEIGHT>
588.9011

> <EXACT_MASS>
588.475375158

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
74.35805422020255

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-1-hydroxy-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate

> <ALOGPS_LOGP>
9.36

> <JCHEM_LOGP>
11.444544485333331

> <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>
181.3673

> <JCHEM_ROTATABLE_BOND_COUNT>
32

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.91e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diacylglycerol

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0007053

> <GENERIC_NAME>
DG(14:1(9Z)/20:3(8Z,11Z,14Z)/0:0)

> <SYNONYMS>
1-myristoleoyl-2-homo-g-linolenoyl-sn-glycerol; 1-myristoleoyl-2-homo-gamma-linolenoyl-sn-glycerol; DAG(14:1/20:3); DAG(14:1n5/20:3n6); DAG(14:1w5/20:3w6); DAG(34:4); DG(14:1/20:3); DG(14:1n5/20:3n6); DG(14:1w5/20:3w6); DG(34:4); Diacylglycerol; Diacylglycerol(14:1/20:3); Diacylglycerol(14:1n5/20:3n6); Diacylglycerol(14:1w5/20:3w6); Diacylglycerol(34:4); Diglyceride

$$$$