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1-(13Z,16Z-docosadienoyl)-2-octadecanoyl-3-tetradecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM131304 Image of MNXM131304
referenceslm:000175243
formulaC57H106O6
global charge0
mol weight887.469
InChIKeyNMKHOLDXUKPZEM-CVPIKHQZSA-N
InChIInChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,54H,4-15,17-18,20-23,25,27-53H2,1-3H3/b19-16-,26-24-/t54-/m0/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C57H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,54H,4-15,17-18,20-23,25,27-53H2,1-3H3/b19-16-,26-24-/t54-/m0/s1 Image of MNXM131304
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:31][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][C:56](=[O:59])[O:62][CH2:53][C@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60]
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:000175243
slm:000175243
NMKHOLDXUKPZEM-CVPIKHQZSA-N 		1-(13Z,16Z-docosadienoyl)-2-octadecanoyl-3-tetradecanoyl-sn-glycerol
TG(22:2(13Z,16Z)/18:0/14:0)
Triacylglycerol (22:2(13Z,16Z)/18:0/14:0)
hmdb:HMDB0042171
NMKHOLDXUKPZEM-CVPIKHQZSA-N 		TG(14:0/18:0/22:2(13Z,16Z))
(2S)-2-(octadecanoyloxy)-3-(tetradecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate
1-Myristoyl-2-stearoyl-3-docosadienoyl-glycerol
1-Tetradecanoyl-2-octadecanoyl-3-(13Z,16Z-docosadienoyl)-glycerol
TAG(14:0/18:0/22:2)
TAG(54:2)
TG(14:0/18:0/22:2)
TG(54:2)
Tracylglycerol(14:0/18:0/22:2)
Tracylglycerol(54:2)
Triacylglycerol
Triglyceride

hmdb:HMDB42171 		secondary/obsolete/fantasy identifier