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

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1,2,3-tributanoylglycerol

	Properties	Image
MNX_ID	MNXM13156
reference	chebi:35020
formula	C₁₅H₂₆O₆
global charge	0
mol weight	302.367
InChIKey	UYXTWWCETRIEDR-UHFFFAOYSA-N
InChI	InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3
SMILES	CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC

MNX internals

InChI (mnx)	InChI=1/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3
SMILES (mnx)	[CH3:1][CH2:4][CH2:7][C:13](=[O:16])[O:19][CH2:10][CH:12]([CH2:11][O:20][C:14]([CH2:8][CH2:5][CH3:2])=[O:17])[O:21][C:15]([CH2:9][CH2:6][CH3:3])=[O:18]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35020 chebi:35020 UYXTWWCETRIEDR-UHFFFAOYSA-N	1,2,3-tributanoylglycerol 1,2,3-Propanetriol, tributyrate 1,2,3-Propanetriyl tributanoate 1,2,3-Tributyrylglycerol 2,3-Bis(butyryloxy)propyl butyrate Butanoic acid, 1,2,3-propanetriyl ester Butyrin Butyryl triglyceride Glycerin tributyrate Glycerol tributanoate Glycerol tributyrate Glyceroltributyrin Glyceryl tributyrate Tri-n-butyrin Tributin Tributyryl glyceride propane-1,2,3-triyl tributanoate propane-1,2,3-triyl tributyrate tributyrin
SLM:000389471 slm:000389471 UYXTWWCETRIEDR-UHFFFAOYSA-N	1,2,3-tributanoylglycerol
hmdb:HMDB0031094 UYXTWWCETRIEDR-UHFFFAOYSA-N	Glycerol tributanoate 1,2,3-Propanetriol, tributyrate 1,2,3-Propanetriol, tributyric acid 1,2,3-Propanetriyl tributanoate 1,2,3-Propanetriyl tributanoic acid 1,2,3-Tributanoylglycerol 1,2,3-Tributyrylglycerol 1,3-bis(butanoyloxy)propan-2-yl butanoate 2,3-Bis(butyryloxy)propyl butyrate 2,3-Bis(butyryloxy)propyl butyric acid Butanoate, 1,2,3-propanetriyl ester Butanoic acid, 1,2,3-propanetriyl ester Butyric acid triester with glycerin Butyrin Butyryl triglyceride FEMA 2223 Glycerin tributyrate Glycerin tributyric acid Glycerol tributanoic acid Glycerol tributyrate Glycerol tributyric acid Glyceroltributyrin Glyceryl tributyrate Glyceryl tributyric acid Kodaflex NSC 661583 Propane-1,2,3-triyl tributyrate Propane-1,2,3-triyl tributyric acid Tri-N-butyrin Tri-butyrin Tributin Tributyrin Tributyrinine Tributyrl glyceride Tributyroin Tributyryl glyceride Tributyrylglycerol tributyrin
seed.compound:cpd09684 seedM:cpd09684 UYXTWWCETRIEDR-UHFFFAOYSA-N	Tributyrin 1,2,3-tributyrylglycerol Glycerol tributyrate Glyceryl tributyrate butanoic acid, 1,2,3-propanetriyl ester butyrin butyryl triglyceride glycerol tributyrate glyceryl tributyrate tributin tributyrin tributyrinine
kegg.compound:C13870 keggC:C13870 UYXTWWCETRIEDR-UHFFFAOYSA-N	Tributyrin Glycerol tributyrate Glyceryl tributyrate
sabiork.compound:20505 sabiorkM:20505 UYXTWWCETRIEDR-UHFFFAOYSA-N	Tributyrin Glycerol tributyrate Glyceryl tributyrate Tributyrylglycerol
metacyc.compound:CPD-13014 metacycM:CPD-13014 UYXTWWCETRIEDR-UHFFFAOYSA-N	tributyrin 1,2,3-tributyrylglycerol butanoic acid, 1,2,3-propanetriyl ester butyrin butyryl triglyceride glycerol tributyrate glyceryl tributyrate tributin tributyrinine
hmdb:HMDB31094 keggC:M_C13870 seedM:M_cpd09684	secondary/obsolete/fantasy identifier