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1-dodecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(9Z,12Z-octadecadienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM351395 Image of MNXM351395
referenceslm:000143339
formulaC53H92O6
global charge0
mol weight825.313
InChIKeyFQOQSXCSZGGGND-FDRJDSSNSA-N
InChIInChI=1S/C53H92O6/c1-4-7-10-13-16-19-21-23-25-26-28-30-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-29-27-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-25,27-28,30,50H,4-15,18,21-22,26,29,31-49H2,1-3H3/b19-16-,20-17-,25-23-,27-24-,30-28-/t50-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C53H92O6/c1-4-7-10-13-16-19-21-23-25-26-28-30-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-29-27-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-25,27-28,30,50H,4-15,18,21-22,26,29,31-49H2,1-3H3/b19-16-,20-17-,25-23-,27-24-,30-28-/t50-/m1/s1 Image of MNXM351395
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][C@H:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:54])[CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:29]/[CH:27]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55]
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:000143339
slm:000143339
FQOQSXCSZGGGND-FDRJDSSNSA-N
1-dodecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
TG(12:0/20:3(8Z,11Z,14Z)/18:2(9Z,12Z))
Triacylglycerol (12:0/20:3(8Z,11Z,14Z)/18:2(9Z,12Z))