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1-(9Z,12Z-octadecadienoyl)-2-tetradecanoyl-3-eicosanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM138175 Image of MNXM138175
referenceslm:000158656
formulaC55H102O6
global charge0
mol weight859.415
InChIKeyBDDYKWODQRFNKV-QLHBUVOUSA-N
InChIInChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,25,28,52H,4-16,18-19,21-24,26-27,29-51H2,1-3H3/b20-17-,28-25-/t52-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,25,28,52H,4-16,18-19,21-24,26-27,29-51H2,1-3H3/b20-17-,28-25-/t52-/m1/s1 Image of MNXM138175
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][CH2:51][C@@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:30]/[CH:28]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:32][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58]
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:000158656
slm:000158656
BDDYKWODQRFNKV-QLHBUVOUSA-N 		1-(9Z,12Z-octadecadienoyl)-2-tetradecanoyl-3-eicosanoyl-sn-glycerol
TG(18:2(9Z,12Z)/14:0/20:0)
Triacylglycerol (18:2(9Z,12Z)/14:0/20:0)
hmdb:HMDB0045488
BDDYKWODQRFNKV-QLHBUVOUSA-N 		TG(20:0/14:0/18:2(9Z,12Z))
(2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(tetradecanoyloxy)propyl icosanoate
1-Arachidonyl-2-myristoyl-3-linoleoyl-glycerol
1-Eicosanoyl-2-tetradecanoyl-3-(9Z,12Z-octadecadienoyl)-glycerol
TAG(20:0/14:0/18:2)
TAG(52:2)
TG(20:0/14:0/18:2)
TG(52:2)
Tracylglycerol(20:0/14:0/18:2)
Tracylglycerol(52:2)
Triacylglycerol
Triglyceride

hmdb:HMDB45488 		secondary/obsolete/fantasy identifier