Mrv0541 02231220262D          

 61 60  0  0  1  0            999 V2000
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    9.7196  -16.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
BMDB0005436

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-21,23-26,28,31,36,39,52H,4-15,17-18,22,27,29-30,32-35,37-38,40-51H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,31-28-,39-36-/t52-/m1/s1

> <INCHI_KEY>
SWYCMJAKZYLTJN-FKAQGJMVSA-N

> <FORMULA>
C55H94O6

> <MOLECULAR_WEIGHT>
851.3313

> <EXACT_MASS>
850.70504074

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
109.53413181788531

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
10.60

> <JCHEM_LOGP>
18.530892404333333

> <ALOGPS_LOGS>
-8.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.565907583667825

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
266.39390000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
48

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.24e-06 g/l

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

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0005436

> <GENERIC_NAME>
TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3]

> <SYNONYMS>
1-palmitoleoyl-2-palmitoleoyl-3-arachidonoyl-glycerol; TAG(16:1/16:1/20:4); TAG(16:1n7/16:1n7/20:4n6); TAG(16:1w7/16:1w7/20:4w6); TAG(52:6); TG(16:1/16:1/20:4); TG(16:1n7/16:1n7/20:4n6); TG(16:1w7/16:1w7/20:4w6); TG(52:6); Tracylglycerol(16:1/16:1/20:4); Tracylglycerol(16:1n7/16:1n7/20:4n6); Tracylglycerol(16:1w7/16:1w7/20:4w6); Tracylglycerol(52:6); Triacylglycerol; Triglyceride

$$$$