RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0134196
RefMet name	Cer 40:1;O2
Alternative name	Cer(d40:1)
Sum Composition	Cer 40:1;O2	View other entries in RefMet with this sum composition
Exact mass	621.605994 (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	C40H79NO3	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Sphingolipids
Main Class	Ceramides
Sub Class	Cer (Ceramides)
Distribution of Cer 40:1;O2 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 Cer 40:1;O2
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
Cer 18:1;O2/22:0	273	Cer 18:1;O2/22:0	N-(docosanoyl)-sphing-4-enine
Cer 16:1;O2/24:0	23	Cer 16:1;O2/24:0	N-(tetracosanoyl)-hexadecasphing-4-enine
Cer 17:1;O2/23:0	9	Cer 17:1;O2/23:0	N-(tricosanoyl)-4E-heptadecasphingenine
Cer 22:1;O2/18:0	2	Cer 22:1;O2/18:0	N-(octadecanoyl)-4E-docosasphingenine
Cer 20:1;O2/20:0	1	Cer 20:1;O2/20:0	N-(eicosanoyl)-4E-eicosasphingenine
Cer 14:1;O2/26:0		Cer 14:1;O2/26:0	N-(hexacosanoyl)-tetradecasphing-4-enine
Cer 15:1;O2/25:0		Cer 15:1;O2/25:0	N-(pentacosanoyl)-4E-pentadecasphingenine
Cer 19:1;O2/21:0		Cer 19:1;O2/21:0	N-(heneicosanoyl)-4E-nonadecasphingenine
Cer 21:1;O2/19:0		Cer 21:1;O2/19:0	N-(nonadecanoyl)-4E-heneicosasphingenine

Table of KEGG reactions in human pathways involving Cer 40:1;O2

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 Cer 40:1;O2

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