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1-(11-methyldodecanoyl)-2-tetradecanoyl-3-(13-methyltetradecanoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM189166 Image of MNXM189166
referenceslm:000126384
formulaC45H86O6
global charge0
mol weight723.177
InChIKeyVMFQSXPHRSFRKT-WBCKFURZSA-N
InChIInChI=1S/C45H86O6/c1-6-7-8-9-10-11-12-15-21-27-32-37-45(48)51-42(39-50-44(47)36-31-26-22-17-19-24-29-34-41(4)5)38-49-43(46)35-30-25-20-16-13-14-18-23-28-33-40(2)3/h40-42H,6-39H2,1-5H3/t42-/m0/s1
SMILESCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C45H86O6/c1-6-7-8-9-10-11-12-15-21-27-32-37-45(48)51-42(39-50-44(47)36-31-26-22-17-19-24-29-34-41(4)5)38-49-43(46)35-30-25-20-16-13-14-18-23-28-33-40(2)3/h40-42H,6-39H2,1-5H3/t42-/m0/s1 Image of MNXM189166
SMILES (mnx)[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:15][CH2:21][CH2:27][CH2:32][CH2:37][C:45](=[O:48])[O:51][C@@H:42]([CH2:38][O:49][C:43]([CH2:35][CH2:30][CH2:25][CH2:20][CH2:16][CH2:13][CH2:14][CH2:18][CH2:23][CH2:28][CH2:33][CH:40]([CH3:2])[CH3:3])=[O:46])[CH2:39][O:50][C:44]([CH2:36][CH2:31][CH2:26][CH2:22][CH2:17][CH2:19][CH2:24][CH2:29][CH2:34][CH:41]([CH3:4])[CH3:5])=[O:47]
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:000126384
slm:000126384
VMFQSXPHRSFRKT-WBCKFURZSA-N 		1-(11-methyldodecanoyl)-2-tetradecanoyl-3-(13-methyltetradecanoyl)-sn-glycerol
TG(13:0/14:0/15:0)
Triacylglycerol (13:0/14:0/15:0)
hmdb:HMDB0101544
VMFQSXPHRSFRKT-WBCKFURZSA-N 		TG(i-15:0/14:0/i-13:0)
(2S)-3-[(11-methyldodecanoyl)oxy]-2-(tetradecanoyloxy)propyl 13-methyltetradecanoate
1-isopentadecanoyl-2-myristoyl-3-isotridecanoyl-glycerol
1-isopentadecanoyl-2-tetradecanoyl-3-isotridecanoyl-glycerol
TAG(42:0)
TAG(i-15:0/14:0/i-13:0)
TG(42:0)
Tracylglycerol(42:0)
Tracylglycerol(i-15:0/14:0/i-13:0)
Triacylglycerol
Triglyceride