RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0040724
RefMet name	LacCer 34:0;O2
Alternative name	LacCer(d34:0)
Sum Composition	LacCer 34:0;O2	View other entries in RefMet with this sum composition
Exact mass	863.633394 (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	C46H89NO13	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Sphingolipids
Main Class	Glycosphingolipids
Sub Class	Hex2Cer (Dihexosyl ceramides)
Distribution of LacCer 34:0;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 LacCer 34:0;O2
External Links
KEGG ID	C01290
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
LacCer 14:0;O2/20:0		LacCer 14:0;O2/20:0	N-(eicosanoyl)-1-beta-lactosyl-tetradecasphinganine
LacCer 15:0;O2/19:0		LacCer 15:0;O2/19:0	N-(nonadecanoyl)-1-beta-lactosyl-pentadecasphinganine
LacCer 16:0;O2/18:0		LacCer 16:0;O2/18:0	N-(octadecanoyl)-1-beta-lactosyl-hexadecasphinganine
LacCer 17:0;O2/17:0		LacCer 17:0;O2/17:0	N-(heptadecanoyl)-1-beta-lactosyl-heptadecasphinganine
LacCer 19:0;O2/15:0		LacCer 19:0;O2/15:0	N-(pentadecanoyl)-1-beta-lactosyl-nonadecasphinganine
LacCer 20:0;O2/14:0		LacCer 20:0;O2/14:0	N-(tetradecanoyl)-1-beta-lactosyl-eicosasphinganine
LacCer 21:0;O2/13:0		LacCer 21:0;O2/13:0	N-(tridecanoyl)-1-beta-lactosyl-heneicosasphinganine
LacCer 22:0;O2/12:0		LacCer 22:0;O2/12:0	N-(dodecanoyl)-1-beta-lactosyl-docosasphinganine

Table of KEGG reactions in human pathways involving LacCer 34:0;O2

Rxn ID	KEGG Reaction	Enzyme
R03354	Glucosylceramide + UDP-alpha-D-galactose <=> Lactosylceramide + UDP	UDP-alpha-D-galactose:beta-D-glucosyl-(1<->1)-ceramide 4-beta-D-galactosyltransferase
R03355	Lactosylceramide + H2O <=> Glucosylceramide + D-Galactose	beta-D-Galactosyl-1,4-beta-D-glucosylceramide galactohydrolase
R05937	CMP-N-acetylneuraminate + Lactosylceramide <=> CMP + GM3	CMP-N-acetylneuraminate + Lactosylceramide <=> CMP + GM3
R05938	UDP-N-acetyl-D-galactosamine + Lactosylceramide <=> UDP + GA2	UDP-N-acetyl-D-galactosamine + Lactosylceramide <=> UDP + GA2
R05971	UDP-N-acetyl-D-glucosamine + Lactosylceramide <=> UDP + Lc3Cer	UDP-N-acetyl-D-glucosamine + Lactosylceramide <=> UDP + Lc3Cer
R12960	3'-Phosphoadenylyl sulfate + Lactosylceramide <=> Adenosine 3',5'-bisphosphate + Lactosylceramide sulfate	3'-phosphoadenylyl-sulfate:lactosylceramide 3'-sulfotransferase
R12961	Lactosylceramide sulfate + H2O <=> Lactosylceramide + Sulfate	lactosylceramide-sulfate sulfohydrolase

Table of KEGG human pathways containing LacCer 34:0;O2

Pathway ID	Human Pathway	# of reactions
hsa00600	Sphingolipid metabolism	4
hsa00604	Glycosphingolipid biosynthesis - ganglio series	2
hsa01100	Metabolic pathways	2
hsa00601	Glycosphingolipid biosynthesis - lacto and neolacto series	1