RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0071301
RefMet name	TG 52:4_18:0
Sum Composition	TG 52:4	View other entries in RefMet with this sum composition
Exact mass	854.73634 (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	C55H98O6	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Glycerolipids
Main Class	Triradylglycerols
Sub Class	TAG (Triacylglycerols)
Distribution of TG 52:4_18:0 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 52:4_18:0
External Links
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 14:1_18:2_20:1	1	TG 14:1(9Z)/18:2(9Z,12Z)/20:1(11Z)	1-(9Z-tetradecenoyl)-2-(9Z,12Z-octadecadienoyl)-3-(11Z-eicosenoyl)-sn-glycerol
TG 16:1_18:1_18:2	1	TG 16:1(9Z)/18:1(9Z)/18:2(9Z,12Z)	1-(9Z-hexadecenoyl)-2-(9Z-octadecenoyl)-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
TG 17:0_17:1_18:3	1	TG 17:0/17:1(9Z)/18:3(9Z,12Z,15Z)	1-heptadecanoyl-2-(9Z-heptadecenoyl)-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
TG 17:2_17:2_18:0	1	TG 17:2(9Z,12Z)/17:2(9Z,12Z)/18:0	1,2-di-(9Z,12Z-heptadecadienoyl)-3-octadecanoyl-sn-glycerol
TG 12:0_18:0_22:4			1-dodecanoyl-2-octadecanoyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
TG 12:0_18:1_22:3			1-dodecanoyl-2-(9Z-octadecenoyl)-3-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
TG 12:0_18:2_22:2			1-dodecanoyl-2-(9Z,12Z-octadecadienoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol
TG 12:0_18:3_22:1			1-dodecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-11Z-docosenoyl-sn-glycerol
TG 12:0_18:3_22:1			1-dodecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-11Z-docosenoyl-sn-glycerol
TG 12:0_18:4_22:0			1-dodecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-docosanoyl-sn-glycerol
TG 12:0_20:0_20:4			1-dodecanoyl-2-eicosanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
TG 12:0_20:1_20:3			1-dodecanoyl-2-(11Z-eicosenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
TG 12:0_20:2_20:2			1-dodecanoyl-2,3-di-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG 13:0_17:0_22:4			1-tridecanoyl-2-heptadecanoyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
TG 13:0_17:1_22:3			1-tridecanoyl-2-(9Z-heptadecenoyl)-3-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
TG 13:0_17:2_22:2			1-tridecanoyl-2-(9Z,12Z-heptadecadienoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol
TG 13:0_18:4_21:0			1-tridecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-heneicosanoyl-sn-glycerol
TG 13:0_19:0_20:4			1-tridecanoyl-2-nonadecanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
TG 13:0_19:1_20:3			1-tridecanoyl-2-9Z-nonadecenoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
TG 14:0_16:0_22:4			1-tetradecanoyl-2-hexadecanoyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
TG 14:0_16:1_22:3			1-tetradecanoyl-2-(9Z-hexadecenoyl)-3-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
TG 14:0_18:0_20:4			1-tetradecanoyl-2-octadecanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
TG 14:0_18:1_20:3			1-tetradecanoyl-2-(9Z-octadecenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
TG 14:0_18:2_20:2			1-tetradecanoyl-2-(9Z,12Z-octadecadienoyl)-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG 14:0_18:3_20:1			1-tetradecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(11Z-eicosenoyl)-sn-glycerol
TG 14:0_18:3_20:1			1-tetradecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-(11Z-eicosenoyl)-sn-glycerol
TG 14:0_18:4_20:0			1-tetradecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-eicosanoyl-sn-glycerol
TG 14:1_16:0_22:3			1-(9Z-tetradecenoyl)-2-hexadecanoyl-3-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
TG 14:1_16:1_22:2			1-(9Z-tetradecenoyl)-2-(9Z-hexadecenoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol
TG 14:1_18:0_20:3			1-(9Z-tetradecenoyl)-2-octadecanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
TG 14:1_18:1_20:2			1-(9Z-tetradecenoyl)-2-(9Z-octadecenoyl)-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG 14:1_18:3_20:0			1-(9Z-tetradecenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-eicosanoyl-sn-glycerol
TG 14:1_18:3_20:0			1-(9Z-tetradecenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-eicosanoyl-sn-glycerol
TG 15:0_15:0_22:4			1,2-dipentadecanoyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
TG 15:0_15:1_22:3			1-pentadecanoyl-2-(9Z-pentadecenoyl)-3-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
TG 15:0_17:0_20:4			1-pentadecanoyl-2-heptadecanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
TG 15:0_17:1_20:3			1-pentadecanoyl-2-(9Z-heptadecenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
TG 15:0_17:2_20:2			1-pentadecanoyl-2-(9Z,12Z-heptadecadienoyl)-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG 15:0_18:3_19:1			1-pentadecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-9Z-nonadecenoyl-sn-glycerol
TG 15:0_18:3_19:1			1-pentadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-9Z-nonadecenoyl-sn-glycerol
TG 15:0_18:4_19:0			1-pentadecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-nonadecanoyl-sn-glycerol
TG 15:1_15:1_22:2			1,2-di-(9Z-pentadecenoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol
TG 15:1_17:0_20:3			1-(9Z-pentadecenoyl)-2-heptadecanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
TG 15:1_17:1_20:2			1-(9Z-pentadecenoyl)-2-(9Z-heptadecenoyl)-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG 15:1_17:2_20:1			1-(9Z-pentadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-3-(11Z-eicosenoyl)-sn-glycerol
TG 15:1_18:2_19:1			1-(9Z-pentadecenoyl)-2-(9Z,12Z-octadecadienoyl)-3-9Z-nonadecenoyl-sn-glycerol
TG 15:1_18:3_19:0			1-(9Z-pentadecenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-nonadecanoyl-sn-glycerol
TG 15:1_18:3_19:0			1-(9Z-pentadecenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-nonadecanoyl-sn-glycerol
TG 16:0_16:0_20:4			1,2-dihexadecanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
TG 16:0_16:1_20:3			1-hexadecanoyl-2-(9Z-hexadecenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
TG 16:0_18:0_18:4			1-hexadecanoyl-2-octadecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol
TG 16:0_18:1_18:3			1-hexadecanoyl-2-(9Z-octadecenoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol
TG 16:0_18:1_18:3			1-hexadecanoyl-2-(9Z-octadecenoyl)-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
TG 16:0_18:2_18:2			1-hexadecanoyl-2,3-di-(9Z,12Z-octadecadienoyl)-sn-glycerol
TG 16:1_16:1_20:2			1,2-di-(9Z-hexadecenoyl)-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG 16:1_17:2_19:1			1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-3-9Z-nonadecenoyl-sn-glycerol
TG 16:1_18:0_18:3			1-(9Z-hexadecenoyl)-2-octadecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol
TG 16:1_18:0_18:3			1-(9Z-hexadecenoyl)-2-octadecanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
TG 17:0_17:0_18:4			1,2-diheptadecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol
TG 17:0_17:1_18:3			1-heptadecanoyl-2-(9Z-heptadecenoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol
TG 17:0_17:2_18:2			1-heptadecanoyl-2-(9Z,12Z-heptadecadienoyl)-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
TG 17:1_17:1_18:2			1,2-di-(9Z-heptadecenoyl)-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
TG 17:1_17:2_18:1			1-(9Z-heptadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-3-(9Z-octadecenoyl)-sn-glycerol

Table of KEGG reactions in human pathways involving TG 52:4_18:0

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 52:4_18:0

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