RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0121699
RefMet name	Cer 31:0;O2
Alternative name	Cer(d31:0)
Sum Composition	Cer 31:0;O2	View other entries in RefMet with this sum composition
Exact mass	497.480794 (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	C31H63NO3	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Sphingolipids
Main Class	Ceramides
Sub Class	Cer (Ceramides)
Distribution of Cer 31:0;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 31:0;O2
External Links
KEGG ID	C12126
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 18:0;O2/13:0	5	Cer 18:0;O2/13:0	N-(tridecanoyl)-sphinganine
Cer 16:0;O2/15:0	1	Cer 16:0;O2/15:0	N-(pentadecanoyl)-hexadecasphinganine
Cer 17:0;O2/14:0	1	Cer 17:0;O2/14:0	N-(tetradecanoyl)-heptadecasphinganine
Cer 14:0;O2/17:0		Cer 14:0;O2/17:0	N-(heptadecanoyl)-tetradecasphinganine
Cer 15:0;O2/16:0		Cer 15:0;O2/16:0	N-(hexadecanoyl)-pentadecasphinganine
Cer 19:0;O2/12:0		Cer 19:0;O2/12:0	N-(dodecanoyl)-nonadecasphinganine
Cer 20:0;O2/11:0		Cer 20:0;O2/11:0	N-(undecanoyl)-eicosasphinganine
Cer 21:0;O2/10:0		Cer 21:0;O2/10:0	N-(decanoyl)-heneicosasphinganine

Table of KEGG reactions in human pathways involving Cer 31:0;O2

Rxn ID	KEGG Reaction	Enzyme
R06517	Acyl-CoA + Sphinganine <=> CoA + Dihydroceramide	acyl-CoA:sphingosine N-acyltransferase
R06518	Dihydroceramide + H2O <=> Fatty acid + Sphinganine	N-acylsphingosine amidohydrolase
R06519	Dihydroceramide + 2 Ferrocytochrome b5 + Oxygen + 2 H+ <=> N-Acylsphingosine + 2 Ferricytochrome b5 + 2 H2O	dihydroceramide,ferrocytochrome b5:oxygen oxidoreductase (4,5-dehydrogenating)
R06526	Dihydroceramide + 2 Ferrocytochrome b5 + Oxygen + 2 H+ <=> Phytoceramide + 2 Ferricytochrome b5 + H2O	dihydroceramide,ferrocytochrome b5:oxygen oxidoreductase (C4-hydroxylating)

Table of KEGG human pathways containing Cer 31:0;O2

Pathway ID	Human Pathway	# of reactions
hsa00600	Sphingolipid metabolism	4