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1,3-didodecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM178747 Image of MNXM178747
referenceslm:000130432
formulaC49H84O6
global charge0
mol weight769.205
InChIKeyLMTJNQOMIWUWHP-NKKHRIETSA-N
InChIInChI=1S/C49H84O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-18-15-12-9-6-3/h16,19,21-22,24-25,27-28,34,37,46H,4-15,17-18,20,23,26,29-33,35-36,38-45H2,1-3H3/b19-16-,22-21-,25-24-,28-27-,37-34-
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C49H84O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-18-15-12-9-6-3/h16,19,21-22,24-25,27-28,34,37,46H,4-15,17-18,20,23,26,29-33,35-36,38-45H2,1-3H3/b19-16-,22-21-,25-24-,28-27-,37-34- Image of MNXM178747
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:31]/[CH:34]=[CH:37]\[CH2:40][CH2:43][C:49](=[O:52])[O:55][CH:46]([CH2:44][O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:50])[CH2:45][O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:51]
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:000130432
slm:000130432
LMTJNQOMIWUWHP-NKKHRIETSA-N
1,3-didodecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycerol
TG(12:0/22:5(4Z,7Z,10Z,13Z,16Z)/12:0)
Triacylglycerol (12:0/22:5(4Z,7Z,10Z,13Z,16Z)/12:0)