RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0038907
RefMet nameLacCer 20:1;O2/10:0
Alternative nameLacCer(d20:1/10:0)
Systematic nameN-(decanoyl)-1-beta-lactosyl-4E-eicosasphingenine
SynonymsPubChem Synonyms
Sum CompositionLacCer 30:1;O2 View other entries in RefMet with this sum composition
Exact mass805.555144 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC42H79NO13View other entries in RefMet with this formula
Molecular descriptors
Molfile90466 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C42H79NO13/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-25-31(46)30(43-34(47)26-24-22-19-10-8-6-4-2)29-53-41-39(52)37(50)4
0(33(28-45)55-41)56-42-38(51)36(49)35(48)32(27-44)54-42/h23,25,30-33,35-42,44-46,48-52H,3-22,24,26-29H2,1-2H3,(H,43,47)/b25-23+/t3
0-,31+,32+,33+,35-,36-,37+,38+,39+,40+,41+,42-/m0/s1
InChIKeyFCRIWGHYWNBIAE-CZUYTOTJSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1C(C([C@@H]([C@@H](CO)O1)O[C@H]1C(C([C@H]([C@@H](CO)O1)O)O)O)O)O)NC(=O)CCCCCCCCC)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassSphingolipids
Main ClassGlycosphingolipids
Sub ClassHex2Cer (Dihexosyl ceramides)
Distribution of LacCer 20:1;O2/10:0 in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting LacCer 20:1;O2/10:0
External Links
Pubchem CID145717410
LIPID MAPSLMSP05019IE3
KEGG IDC01290
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving LacCer 20:1;O2/10:0

Rxn IDKEGG ReactionEnzyme
R03354 Glucosylceramide + UDP-alpha-D-galactose <=> Lactosylceramide + UDPUDP-alpha-D-galactose:beta-D-glucosyl-(1<->1)-ceramide 4-beta-D-galactosyltransferase
R03355 Lactosylceramide + H2O <=> Glucosylceramide + D-Galactosebeta-D-Galactosyl-1,4-beta-D-glucosylceramide galactohydrolase
R05937 CMP-N-acetylneuraminate + Lactosylceramide <=> CMP + GM3CMP-N-acetylneuraminate + Lactosylceramide <=> CMP + GM3
R05938 UDP-N-acetyl-D-galactosamine + Lactosylceramide <=> UDP + GA2UDP-N-acetyl-D-galactosamine + Lactosylceramide <=> UDP + GA2
R05971 UDP-N-acetyl-D-glucosamine + Lactosylceramide <=> UDP + Lc3CerUDP-N-acetyl-D-glucosamine + Lactosylceramide <=> UDP + Lc3Cer
R12960 3'-Phosphoadenylyl sulfate + Lactosylceramide <=> Adenosine 3',5'-bisphosphate + Lactosylceramide sulfate3'-phosphoadenylyl-sulfate:lactosylceramide 3'-sulfotransferase
R12961 Lactosylceramide sulfate + H2O <=> Lactosylceramide + Sulfatelactosylceramide-sulfate sulfohydrolase

Table of KEGG human pathways containing LacCer 20:1;O2/10:0

Pathway IDHuman 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
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