Mrv0541 02231220282D          

 65 64  0  0  1  0            999 V2000
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   17.5655   -9.9604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.7090   -9.5480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9932  -16.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   26.8537   -6.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8498  -15.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7077   -8.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7065  -14.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9932   -8.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9920   -9.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
BMDB0005475

> <DATABASE_NAME>
bmdb

> <SMILES>
CCCCC\C=C/C\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/C\C=C/CCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-21,25-28,30-32,34,40,43,56H,4-15,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m1/s1

> <INCHI_KEY>
LEIBLJJIUBRCFU-GGCYDWOZSA-N

> <FORMULA>
C59H98O6

> <MOLECULAR_WEIGHT>
903.4058

> <EXACT_MASS>
902.736340868

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
115.28030351619097

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

> <ALOGPS_LOGP>
10.45

> <JCHEM_LOGP>
19.585323751

> <ALOGPS_LOGS>
-8.27

> <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>
287.0310999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
50

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.83e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0005475

> <GENERIC_NAME>
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso3]

> <SYNONYMS>
1-linoleoyl-2-linoleoyl-3-arachidonoyl-glycerol; TAG(18:2/18:2/20:4); TAG(18:2n6/18:2n6/20:4n6); TAG(18:2w6/18:2w6/20:4w6); TAG(56:8); TG(18:2/18:2/20:4); TG(18:2n6/18:2n6/20:4n6); TG(18:2w6/18:2w6/20:4w6); TG(56:8); Tracylglycerol(18:2/18:2/20:4); Tracylglycerol(18:2n6/18:2n6/20:4n6); Tracylglycerol(18:2w6/18:2w6/20:4w6); Tracylglycerol(56:8); Triacylglycerol; Triglyceride

$$$$