RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0134227
RefMet name	TG 50:3
Alternative name	TG(50:3)
Sum Composition	TG 50:3	View other entries in RefMet with this sum composition
Exact mass	828.720690 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C53H96O6	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Glycerolipids
Main Class	Triradylglycerols
Sub Class	TAG (Triacylglycerols)
Distribution of TG 50:3 in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting TG 50:3
External Links
ChEBI ID	85729
KEGG ID	C00422
Structural annotation level
Annotation level	4   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Abbrev	# of Studies	Refmet name(exact structures)	Systematic name
TG 16:1_17:1_17:1	1	TG 16:1(9Z)/17:1(9Z)/17:1(9Z)	1-(9Z-hexadecenoyl)-2,3-di-(9Z-heptadecenoyl)-sn-glycerol
TG 12:0_16:0_22:3			1-dodecanoyl-2-hexadecanoyl-3-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
TG 12:0_16:1_22:2			1-dodecanoyl-2-(9Z-hexadecenoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol
TG 12:0_18:0_20:3			1-dodecanoyl-2-octadecanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
TG 12:0_18:1_20:2			1-dodecanoyl-2-(9Z-octadecenoyl)-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG 12:0_18:2_20:1			1-dodecanoyl-2-(9Z,12Z-octadecadienoyl)-3-(11Z-eicosenoyl)-sn-glycerol
TG 12:0_18:3_20:0			1-dodecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-eicosanoyl-sn-glycerol
TG 12:0_18:3_20:0			1-dodecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-eicosanoyl-sn-glycerol
TG 13:0_15:0_22:3			1-tridecanoyl-2-pentadecanoyl-3-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
TG 13:0_15:1_22:2			1-tridecanoyl-2-(9Z-pentadecenoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol
TG 13:0_17:0_20:3			1-tridecanoyl-2-heptadecanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
TG 13:0_17:1_20:2			1-tridecanoyl-2-(9Z-heptadecenoyl)-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG 13:0_17:2_20:1			1-tridecanoyl-2-(9Z,12Z-heptadecadienoyl)-3-(11Z-eicosenoyl)-sn-glycerol
TG 13:0_18:2_19:1			1-tridecanoyl-2-(9Z,12Z-octadecadienoyl)-3-9Z-nonadecenoyl-sn-glycerol
TG 13:0_18:3_19:0			1-tridecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-nonadecanoyl-sn-glycerol
TG 13:0_18:3_19:0			1-tridecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-nonadecanoyl-sn-glycerol
TG 14:0_14:0_22:3			1,2-ditetradecanoyl-3-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
TG 14:0_14:1_22:2			1-tetradecanoyl-2-(9Z-tetradecenoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol
TG 14:0_16:0_20:3			1-tetradecanoyl-2-hexadecanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
TG 14:0_16:1_20:2			1-tetradecanoyl-2-(9Z-hexadecenoyl)-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG 14:0_17:2_19:1			1-tetradecanoyl-2-(9Z,12Z-heptadecadienoyl)-3-9Z-nonadecenoyl-sn-glycerol
TG 14:0_18:0_18:3			1-tetradecanoyl-2-octadecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol
TG 14:0_18:0_18:3			1-tetradecanoyl-2-octadecanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
TG 14:0_18:1_18:2			1-tetradecanoyl-2-(9Z-octadecenoyl)-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
TG 14:1_14:1_22:1			1,2-di-(9Z-tetradecenoyl)-3-11Z-docosenoyl-sn-glycerol
TG 14:1_16:0_20:2			1-(9Z-tetradecenoyl)-2-hexadecanoyl-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG 14:1_16:1_20:1			1-(9Z-tetradecenoyl)-2-(9Z-hexadecenoyl)-3-(11Z-eicosenoyl)-sn-glycerol
TG 14:1_17:1_19:1			1-(9Z-tetradecenoyl)-2-(9Z-heptadecenoyl)-3-9Z-nonadecenoyl-sn-glycerol
TG 14:1_17:2_19:0			1-(9Z-tetradecenoyl)-2-(9Z,12Z-heptadecadienoyl)-3-nonadecanoyl-sn-glycerol
TG 14:1_18:0_18:2			1-(9Z-tetradecenoyl)-2-octadecanoyl-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
TG 14:1_18:1_18:1			1-(9Z-tetradecenoyl)-2,3-di-(9Z-octadecenoyl)-sn-glycerol
TG 15:0_15:0_20:3			1,2-dipentadecanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
TG 15:0_15:1_20:2			1-pentadecanoyl-2-(9Z-pentadecenoyl)-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG 15:0_17:0_18:3			1-pentadecanoyl-2-heptadecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol
TG 15:0_17:0_18:3			1-pentadecanoyl-2-heptadecanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
TG 15:0_17:1_18:2			1-pentadecanoyl-2-(9Z-heptadecenoyl)-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
TG 15:0_17:2_18:1			1-pentadecanoyl-2-(9Z,12Z-heptadecadienoyl)-3-(9Z-octadecenoyl)-sn-glycerol
TG 15:1_15:1_20:1			1,2-di-(9Z-pentadecenoyl)-3-(11Z-eicosenoyl)-sn-glycerol
TG 15:1_16:1_19:1			1-(9Z-pentadecenoyl)-2-(9Z-hexadecenoyl)-3-9Z-nonadecenoyl-sn-glycerol
TG 15:1_17:0_18:2			1-(9Z-pentadecenoyl)-2-heptadecanoyl-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
TG 15:1_17:1_18:1			1-(9Z-pentadecenoyl)-2-(9Z-heptadecenoyl)-3-(9Z-octadecenoyl)-sn-glycerol
TG 15:1_17:2_18:0			1-(9Z-pentadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-3-octadecanoyl-sn-glycerol
TG 16:0_16:0_18:3			1,2-dihexadecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol
TG 16:0_16:0_18:3			1,2-dihexadecanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
TG 16:0_16:1_18:2			1-hexadecanoyl-2-(9Z-hexadecenoyl)-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
TG 16:0_17:1_17:2			1-hexadecanoyl-2-(9Z-heptadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol
TG 16:1_16:1_18:1			1,2-di-(9Z-hexadecenoyl)-3-(9Z-octadecenoyl)-sn-glycerol
TG 16:1_17:0_17:2			1-(9Z-hexadecenoyl)-2-heptadecanoyl-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol

Table of KEGG reactions in human pathways involving TG 50:3

Rxn ID	KEGG Reaction	Enzyme
R01350	Glycerol + Fatty acid <=> Triacylglycerol	Glycerol acylhydrolase
R02250	Triacylglycerol + H2O <=> 1,2-Diacyl-sn-glycerol + Fatty acid	triacylglycerol acylhydrolase
R02251	Triacylglycerol + CoA <=> 1,2-Diacyl-sn-glycerol + Acyl-CoA	acyl-CoA:1,2-diacyl-sn-glycerol O-acyltransferase
R05333	Phospholipid + 1,2-Diacyl-sn-glycerol <=> Lysophospholipid + Triacylglycerol	Phospholipid:1,2-diacyl-sn-glycerol O-acyltransferase

Table of KEGG human pathways containing TG 50:3

Pathway ID	Human Pathway	# of reactions
hsa00561	Glycerolipid metabolism	3
hsa01100	Metabolic pathways	1