Mrv0541 02231221272D          

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M  END
> <DATABASE_ID>
BMDB0007516

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,29-32,41,44H,3-10,12,14-16,21-22,27-28,33-40H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1

> <INCHI_KEY>
IDNWRPMAVMNDGB-HBQIWVRBSA-N

> <FORMULA>
C43H70O5

> <MOLECULAR_WEIGHT>
667.0129

> <EXACT_MASS>
666.52232535

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
83.02444236681464

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3-hydroxy-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

> <ALOGPS_LOGP>
9.16

> <JCHEM_LOGP>
13.026191505333333

> <ALOGPS_LOGS>
-7.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.577784009024981

> <JCHEM_PKA_STRONGEST_BASIC>
-2.983477274452473

> <JCHEM_POLAR_SURFACE_AREA>
72.83

> <JCHEM_REFRACTIVITY>
212.32310000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
35

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.27e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diacylglycerol

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0007516

> <GENERIC_NAME>
DG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/0:0)

> <SYNONYMS>
1-arachidonoyl-2-meadoyl-sn-glycerol; DAG(20:4/20:3); DAG(20:4n6/20:3n9); DAG(20:4w6/20:3w9); DAG(40:7); DG(20:4/20:3); DG(20:4n6/20:3n9); DG(20:4w6/20:3w9); DG(40:7); Diacylglycerol; Diacylglycerol(20:4/20:3); Diacylglycerol(20:4n6/20:3n9); Diacylglycerol(20:4w6/20:3w9); Diacylglycerol(40:7); Diglyceride

$$$$