Mrv0541 02231221232D          

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M  END
> <DATABASE_ID>
BMDB0007445

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h17-18,20-21,24,26,36,39H,3-16,19,22-23,25,27-35H2,1-2H3/b18-17-,21-20-,26-24-/t36-/m0/s1

> <INCHI_KEY>
KXYFPUGPNWXJSL-SKSNARAGSA-N

> <FORMULA>
C38H68O5

> <MOLECULAR_WEIGHT>
604.9435

> <EXACT_MASS>
604.506675286

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
77.34175976552379

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3-hydroxy-2-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate

> <ALOGPS_LOGP>
10.01

> <JCHEM_LOGP>
12.251034806999998

> <ALOGPS_LOGS>
-7.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.577784010567285

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9834772737778694

> <JCHEM_POLAR_SURFACE_AREA>
72.83

> <JCHEM_REFRACTIVITY>
184.85170000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
34

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.18e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diacylglycerol

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0007445

> <GENERIC_NAME>
DG(20:3(5Z,8Z,11Z)/15:0/0:0)

> <SYNONYMS>
1-meadoyl-2-pentadecanoyl-sn-glycerol; DAG(20:3/15:0); DAG(20:3n9/15:0); DAG(20:3w9/15:0); DAG(35:3); DG(20:3/15:0); DG(20:3n9/15:0); DG(20:3w9/15:0); DG(35:3); Diacylglycerol; Diacylglycerol(20:3/15:0); Diacylglycerol(20:3n9/15:0); Diacylglycerol(20:3w9/15:0); Diacylglycerol(35:3); Diglyceride

$$$$