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1-(11-methyldodecanoyl)-2-dodecanoyl-3-tridecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM188458 Image of MNXM188458
referenceslm:000123158
formulaC41H78O6
global charge0
mol weight667.069
InChIKeyVTUKSYDPIATCQH-LHEWISCISA-N
InChIInChI=1S/C41H78O6/c1-5-7-9-11-13-15-17-20-24-28-32-39(42)45-35-38(47-41(44)34-30-26-21-16-14-12-10-8-6-2)36-46-40(43)33-29-25-22-18-19-23-27-31-37(3)4/h37-38H,5-36H2,1-4H3/t38-/m0/s1
SMILESCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C41H78O6/c1-5-7-9-11-13-15-17-20-24-28-32-39(42)45-35-38(47-41(44)34-30-26-21-16-14-12-10-8-6-2)36-46-40(43)33-29-25-22-18-19-23-27-31-37(3)4/h37-38H,5-36H2,1-4H3/t38-/m0/s1 Image of MNXM188458
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:20][CH2:24][CH2:28][CH2:32][C:39](=[O:42])[O:45][CH2:35][C@@H:38]([CH2:36][O:46][C:40]([CH2:33][CH2:29][CH2:25][CH2:22][CH2:18][CH2:19][CH2:23][CH2:27][CH2:31][CH:37]([CH3:3])[CH3:4])=[O:43])[O:47][C:41]([CH2:34][CH2:30][CH2:26][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:44]
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:000123158
slm:000123158
VTUKSYDPIATCQH-LHEWISCISA-N 		1-(11-methyldodecanoyl)-2-dodecanoyl-3-tridecanoyl-sn-glycerol
TG(13:0/12:0/13:0)
Triacylglycerol (13:0/12:0/13:0)
hmdb:HMDB0096779
VTUKSYDPIATCQH-LHEWISCISA-N 		TG(13:0/12:0/i-13:0)
(2S)-2-(Dodecanoyloxy)-3-[(11-methyldodecanoyl)oxy]propyl tridecanoic acid
(2S)-2-(dodecanoyloxy)-3-[(11-methyldodecanoyl)oxy]propyl tridecanoate
1-animal fats-2-dodecanoyl-3-isotridecanoyl-glycerol
1-tridecyloyl-2-dodecanoyl-3-isotridecanoyl-glycerol
TAG(13:0/12:0/i-13:0)
TAG(38:0)
TG(38:0)
Tracylglycerol(13:0/12:0/i-13:0)
Tracylglycerol(38:0)
Triacylglycerol
Triglyceride

hmdb:HMDB96779 		secondary/obsolete/fantasy identifier