RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0042165
RefMet name	LacCer 53:1;O2
Alternative name	LacCer(d53:1)
Sum Composition	LacCer 53:1;O2	View other entries in RefMet with this sum composition
Exact mass	1127.915094 (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	C65H125NO13	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 53:1;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 LacCer 53:1;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 14:1;O2/39:0		LacCer 14:1;O2/39:0	N-(nonatriacontanoyl)-1-beta-lactosyl-4E-tetradecasphingenine
LacCer 15:1;O2/38:0		LacCer 15:1;O2/38:0	N-(octatriacontanoyl)-1-beta-lactosyl-4E-pentadecasphingenine
LacCer 16:1;O2/37:0		LacCer 16:1;O2/37:0	N-(heptatriacontanoyl)-1-beta-lactosyl-4E-hexadecasphingenine
LacCer 17:1;O2/36:0		LacCer 17:1;O2/36:0	N-(hexatriacontanoyl)-1-beta-lactosyl-4E-heptadecasphingenine
LacCer 18:1;O2/35:0		LacCer 18:1;O2/35:0	N-(pentatriacontanoyl)-1-beta-lactosyl-4E-sphingenine
LacCer 19:1;O2/34:0		LacCer 19:1;O2/34:0	N-(tetratriacontanoyl)-1-beta-lactosyl-4E-nonadecasphingenine
LacCer 20:1;O2/33:0		LacCer 20:1;O2/33:0	N-(tritriacontanoyl)-1-beta-lactosyl-4E-eicosasphingenine
LacCer 21:1;O2/32:0		LacCer 21:1;O2/32:0	N-(dotriacontanoyl)-1-beta-lactosyl-4E-heneicosasphingenine
LacCer 22:1;O2/31:0		LacCer 22:1;O2/31:0	N-(hentriacontanoyl)-1-beta-lactosyl-4E-docosasphingenine

Table of KEGG reactions in human pathways involving LacCer 53:1;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 53:1;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