RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0134265
RefMet name	TG 42:1
Alternative name	TG(42:1)
Sum Composition	TG 42:1	View other entries in RefMet with this sum composition
Exact mass	720.626790 (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	C45H84O6	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Glycerolipids
Main Class	Triradylglycerols
Sub Class	TAG (Triacylglycerols)
Distribution of TG 42:1 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 42:1
External Links
ChEBI ID	90294
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 12:0_14:0_16:1	1	TG 12:0/14:0/16:1(9Z)	1-dodecanoyl-2-tetradecanoyl-3-(9Z-hexadecenoyl)-sn-glycerol
TG 13:0_14:0_15:1	1	TG 13:0/14:0/15:1(9Z)	1-tridecanoyl-2-tetradecanoyl-3-(9Z-pentadecenoyl)-sn-glycerol
TG 12:0_12:0_18:1			1,2-didodecanoyl-3-(9Z-octadecenoyl)-sn-glycerol
TG 12:0_13:0_17:1			1-dodecanoyl-2-tridecanoyl-3-(9Z-heptadecenoyl)-sn-glycerol
TG 12:0_14:1_16:0			1-dodecanoyl-2-(9Z-tetradecenoyl)-3-hexadecanoyl-sn-glycerol
TG 12:0_15:0_15:1			1-dodecanoyl-2-pentadecanoyl-3-(9Z-pentadecenoyl)-sn-glycerol
TG 13:0_13:0_16:1			1,2-ditridecanoyl-3-(9Z-hexadecenoyl)-sn-glycerol
TG 13:0_14:1_15:0			1-tridecanoyl-2-(9Z-tetradecenoyl)-3-pentadecanoyl-sn-glycerol
TG 14:0_14:0_14:1			1,2-ditetradecanoyl-3-(9Z-tetradecenoyl)-sn-glycerol

Table of KEGG reactions in human pathways involving TG 42:1

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 42:1

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