MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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1,2,3-trioctanoylglycerol

	Properties	Image
MNX_ID	MNXM87785
reference	chebi:76978
formula	C₂₇H₅₀O₆
global charge	0
mol weight	470.691
InChIKey	VLPFTAMPNXLGLX-UHFFFAOYSA-N
InChI	InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
SMILES	CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC

MNX internals

InChI (mnx)	InChI=1/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
SMILES (mnx)	[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][C:25](=[O:28])[O:31][CH2:22][CH:24]([CH2:23][O:32][C:26]([CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:29])[O:33][C:27]([CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:30]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76978 chebi:76978 VLPFTAMPNXLGLX-UHFFFAOYSA-N	1,2,3-trioctanoylglycerol 1,2,3-Propanetriol trioctanoate Axona Caprylic acid triglyceride Caprylic acid, 1,2,3-propanetriyl ester Caprylic triglyceride Caprylin Glycerin tricaprylate Glycerol tricaprylate Glycerol trioctanoate Glycerol trioctanoin Glyceryl tricaprylate Octanoic acid triglyceride Octanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester Octanoic acid, 1,2,3-propanetriyl ester TG(8:0/8:0/8:0) Tricaprilin Tricaprylic glyceride Tricaprylin Tricapryloylglycerol Tricaprylyl glycerin Trioctanoylglycerol propane-1,2,3-triyl trioctanoate trioctanoin trioctanoylglyceride
SLM:000389421 slm:000389421 VLPFTAMPNXLGLX-UHFFFAOYSA-N	1,2,3-trioctanoylglycerol
hmdb:HMDB0011187 VLPFTAMPNXLGLX-UHFFFAOYSA-N	TG(8:0/8:0/8:0) 1,2,3-Propanetriol trioctanoate 1,2,3-Propanetriol trioctanoic acid 1,2,3-Trioctanoylglycerol 1,3-bis(octanoyloxy)propan-2-yl octanoate 1-capryloyl-2-capryloyl-3-capryloyl-glycerol 1-octanoyl-2-octanoyl-3-octanoyl-glycerol 2-Ethylhexanoic acid, 1,2,3-propanetriyl ester Axona Caprylate triglyceride Caprylate, 1,2,3-propanetriyl ester Caprylic acid triglyceride Caprylic acid, 1,2,3-propanetriyl ester Caprylic triglyceride Caprylin Glycerin tricaprylate Glycerin tricaprylic acid Glycerol tricaprylate Glycerol tricaprylic acid Glycerol trioctanoate Glycerol trioctanoic acid Glycerol trioctanoin Glyceryl tricaprylate Glyceryl tricaprylic acid Glyceryl trioctanoate Octanoate triglyceride Octanoate, 1,1',1''-(1,2,3-propanetriyl) ester Octanoate, 1,2,3-propanetriyl ester Octanoic acid triglyceride Octanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester Octanoic acid, 1,2,3- propanetriyl ester Octanoic acid, 1,2,3-propanetriyl ester Panasate 800 Rato TAG(24:0) TAG(8:0/8:0/8:0) TG(24:0) Tracylglycerol(24:0) Tracylglycerol(8:0/8:0/8:0) Triacylglycerol Tricaprilin Tricaprylic glyceride Tricaprylin Tricapryloylglycerol Tricaprylyl glycerin Triethylhexanoin Triglyceride Trioctanoin Trioctanoylglyceride Trioctanoylglycerol
kegg.drug:D01587 keggD:D01587 VLPFTAMPNXLGLX-UHFFFAOYSA-N	Tricaprilin (JAN/USAN)
seed.compound:cpd09362 seedM:cpd09362 sabiork.compound:15072 sabiorkM:15072 kegg.compound:C13044 keggC:C13044 VLPFTAMPNXLGLX-UHFFFAOYSA-N	Tricaprilin Trioctanoylglycerol
hmdb:HMDB11187 chebi:32258 keggC:M_C13044 keggD:M_D01587 seedM:M_cpd09362	secondary/obsolete/fantasy identifier