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1-heneicosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-docosanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM357528 Image of MNXM357528
referenceslm:000260329
formulaC66H118O6
global charge0
mol weight1007.664
InChIKeyDNQHJOFYHTWIGF-VTUFJFEVSA-N
InChIInChI=1S/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-39-34-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,39,42,48,51,63H,4-8,10-11,13-17,19-20,22-26,28-29,31-38,40-41,43-47,49-50,52-62H2,1-3H3/b12-9-,21-18-,30-27-,42-39-,51-48-/t63-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C66H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-39-34-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,39,42,48,51,63H,4-8,10-11,13-17,19-20,22-26,28-29,31-38,40-41,43-47,49-50,52-62H2,1-3H3/b12-9-,21-18-,30-27-,42-39-,51-48-/t63-/m1/s1 Image of MNXM357528
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:33][CH2:36][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][C:65](=[O:68])[O:71][CH2:62][C@@H:63]([CH2:61][O:70][C:64]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:67])[O:72][C:66]([CH2:60][CH2:57][CH2:54]/[CH:51]=[CH:48]\[CH2:45]/[CH:42]=[CH:39]\[CH2:34]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:69]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000260329
slm:000260329
DNQHJOFYHTWIGF-VTUFJFEVSA-N
1-heneicosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-docosanoyl-sn-glycerol
TG(21:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)
Triacylglycerol (21:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)