Mrv0541 02231220252D          

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M  END
> <DATABASE_ID>
BMDB0005429

> <DATABASE_NAME>
bmdb

> <SMILES>
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,31,34,40,43,56H,4-15,17-18,20,22-23,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b19-16-,24-21-,27-25-,34-31-,43-40-/t56-/m1/s1

> <INCHI_KEY>
VBUYRYWKPKRTDI-GUCLVJGKSA-N

> <FORMULA>
C59H104O6

> <MOLECULAR_WEIGHT>
909.4535

> <EXACT_MASS>
908.78329106

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
119.20399233578712

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

> <ALOGPS_LOGP>
10.87

> <JCHEM_LOGP>
20.671088721

> <ALOGPS_LOGS>
-8.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.565907583667803

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
283.68129999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
53

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.11e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0005429

> <GENERIC_NAME>
TG(16:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]

> <SYNONYMS>
1-palmitoleoyl-2-arachidonyl-3-arachidonoyl-glycerol; TAG(16:1/20:0/20:4); TAG(16:1n7/20:0/20:4n6); TAG(16:1w7/20:0/20:4w6); TAG(56:5); TG(16:1/20:0/20:4); TG(16:1n7/20:0/20:4n6); TG(16:1w7/20:0/20:4w6); TG(56:5); Tracylglycerol(16:1/20:0/20:4); Tracylglycerol(16:1n7/20:0/20:4n6); Tracylglycerol(16:1w7/20:0/20:4w6); Tracylglycerol(56:5); Triacylglycerol; Triglyceride

$$$$