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1-docosanoyl-2-eicosanoyl-3-(13Z,16Z-docosadienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM348575 Image of MNXM348575
referenceslm:000271385
formulaC67H126O6
global charge0
mol weight1027.739
InChIKeyOWLCERGKWADKTP-CKHYUETFSA-N
InChIInChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,64H,4-15,17-18,20-24,26-27,29-63H2,1-3H3/b19-16-,28-25-/t64-/m0/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,64H,4-15,17-18,20-24,26-27,29-63H2,1-3H3/b19-16-,28-25-/t64-/m0/s1 Image of MNXM348575
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH: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:64]([CH2:63][O:72][C:66]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:37][CH2:34][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:69])[O:73][C:67]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:35][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:70]
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:000271385
slm:000271385
OWLCERGKWADKTP-CKHYUETFSA-N
1-docosanoyl-2-eicosanoyl-3-(13Z,16Z-docosadienoyl)-sn-glycerol
TG(22:0/20:0/22:2(13Z,16Z))
Triacylglycerol (22:0/20:0/22:2(13Z,16Z))