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1-(11-methyldodecanoyl)-2-tetradecanoyl-3-hexadecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM189201 Image of MNXM189201
referenceslm:000127393
formulaC46H88O6
global charge0
mol weight737.204
InChIKeyYJFZKIXCHFZTRG-QLKFWGTOSA-N
InChIInChI=1S/C46H88O6/c1-5-7-9-11-13-15-17-18-20-21-25-29-33-37-44(47)50-40-43(41-51-45(48)38-34-30-27-23-24-28-32-36-42(3)4)52-46(49)39-35-31-26-22-19-16-14-12-10-8-6-2/h42-43H,5-41H2,1-4H3/t43-/m0/s1
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C46H88O6/c1-5-7-9-11-13-15-17-18-20-21-25-29-33-37-44(47)50-40-43(41-51-45(48)38-34-30-27-23-24-28-32-36-42(3)4)52-46(49)39-35-31-26-22-19-16-14-12-10-8-6-2/h42-43H,5-41H2,1-4H3/t43-/m0/s1 Image of MNXM189201
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:20][CH2:21][CH2:25][CH2:29][CH2:33][CH2:37][C:44](=[O:47])[O:50][CH2:40][C@@H:43]([CH2:41][O:51][C:45]([CH2:38][CH2:34][CH2:30][CH2:27][CH2:23][CH2:24][CH2:28][CH2:32][CH2:36][CH:42]([CH3:3])[CH3:4])=[O:48])[O:52][C:46]([CH2:39][CH2:35][CH2:31][CH2:26][CH2:22][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:49]
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:000127393
slm:000127393
YJFZKIXCHFZTRG-QLKFWGTOSA-N 		1-(11-methyldodecanoyl)-2-tetradecanoyl-3-hexadecanoyl-sn-glycerol
TG(13:0/14:0/16:0)
Triacylglycerol (13:0/14:0/16:0)
hmdb:HMDB0103918
YJFZKIXCHFZTRG-QLKFWGTOSA-N 		TG(16:0/14:0/i-13:0)
(2S)-3-[(11-Methyldodecanoyl)oxy]-2-(tetradecanoyloxy)propyl hexadecanoic acid
(2S)-3-[(11-methyldodecanoyl)oxy]-2-(tetradecanoyloxy)propyl hexadecanoate
1-hexadecanoyl-2-tetradecanoyl-3-isotridecanoyl-glycerol
1-palmitoyl-2-myristoyl-3-isotridecanoyl-glycerol
TAG(16:0/14:0/i-13:0)
TAG(43:0)
TG(43:0)
Tracylglycerol(16:0/14:0/i-13:0)
Tracylglycerol(43:0)
Triacylglycerol
Triglyceride