1-(13Z-docosenoyl)-2,3-di-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
  Mrv1652304062002562D          

 72 71  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
HMDB0051863

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36,38-39,41,45,47-48,50,62H,4-7,10,13-16,19,22-24,31-35,37,40,42-44,46,49,51-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,48-45-,50-47-/t62-/m1/s1

> <INCHI_KEY>
ZZHQPHMTXYHRIT-OBQUUIHPSA-N

> <FORMULA>
C65H104O6

> <MOLECULAR_WEIGHT>
981.541

> <EXACT_MASS>
980.783291069

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
175

> <JCHEM_AVERAGE_POLARIZABILITY>
124.71022785427229

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2,3-bis[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl (13Z)-docos-13-enoate

> <ALOGPS_LOGP>
10.32

> <JCHEM_LOGP>
21.166970771000003

> <ALOGPS_LOGS>
-8.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.56594601817926

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
317.9868999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
53

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.36e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2,3-bis[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl (13Z)-docos-13-enoate

> <JCHEM_VEBER_RULE>
0

> <HMDB_ID>
HMDB0051863

> <GENERIC_NAME>
TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))

> <SYNONYMS>
1-(13Z-Docosenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol; 1-Erucoyl-2-eicosapentaenoyl-3-eicosapentaenoyl-glycerol; TAG(22:1/20:5/20:5); TAG(62:11); TG(22:1/20:5/20:5); TG(62:11); Tracylglycerol(22:1/20:5/20:5); Tracylglycerol(62:11); Triacylglycerol; Triglyceride

$$$$