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1-(13Z,16Z-docosadienoyl)-2-(9Z-hexadecenoyl)-3-tetradecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM131274 Image of MNXM131274
referenceslm:000157310
formulaC55H100O6
global charge0
mol weight857.399
InChIKeyFICVIOYVXOEZEN-QPRILOHKSA-N
InChIInChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,52H,4-15,17-18,21-22,26-51H2,1-3H3/b19-16-,23-20-,25-24-/t52-/m0/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C55H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,52H,4-15,17-18,21-22,26-51H2,1-3H3/b19-16-,23-20-,25-24-/t52-/m0/s1 Image of MNXM131274
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][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][CH2:32][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:30]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[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:000157310
slm:000157310
FICVIOYVXOEZEN-QPRILOHKSA-N 		1-(13Z,16Z-docosadienoyl)-2-(9Z-hexadecenoyl)-3-tetradecanoyl-sn-glycerol
TG(22:2(13Z,16Z)/16:1(9Z)/14:0)
Triacylglycerol (22:2(13Z,16Z)/16:1(9Z)/14:0)
hmdb:HMDB0042321
FICVIOYVXOEZEN-QPRILOHKSA-N 		TG(14:0/16:1(9Z)/22:2(13Z,16Z))
(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-(tetradecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate
1-Myristoyl-2-palmitoleoyl-3-docosadienoyl-glycerol
1-Tetradecanoyl-2-(9Z-hexadecenoyl)-3-(13Z,16Z-docosadienoyl)-glycerol
TAG(14:0/16:1/22:2)
TAG(52:3)
TG(14:0/16:1/22:2)
TG(52:3)
Tracylglycerol(14:0/16:1/22:2)
Tracylglycerol(52:3)
Triacylglycerol
Triglyceride

hmdb:HMDB42321 		secondary/obsolete/fantasy identifier