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CHEBI:140414 - 1-O-(α-D-galactosyl)-N-undecanoylphytosphingosine

ChEBI IDCHEBI:140414
ChEBI Name1-O-(α-D-galactosyl)-N-undecanoylphytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactosyl)-N-undecanoylphytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an undecanoyl group attached to the nitrogen.
Last Modified13 March 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC35H69NO9
Net Charge0
Average Mass647.935
Monoisotopic Mass647.49723
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCC
InChIInChI=1S/C35H69NO9/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-28(38)31(40)27(36-30(39)24-22-20-18-12-10-8-6-4-2)26-44-35-34(43)33(42)32(41)29(25-37)45-35/h27-29,31-35,37-38,40-43H,3-26H2,1-2H3,(H,36,39)/t27-,28+,29+,31-,32-,33-,34+,35-/m0/s1
InChIKeyXAGHGLSSJDVTMX-NOUVZJLJSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-O-(α-D-galactosyl)-N-undecanoylphytosphingosine (CHEBI:140414) has functional parent undecanoic acid (CHEBI:32368)
1-O-(α-D-galactosyl)-N-undecanoylphytosphingosine (CHEBI:140414) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactosyl)-N-undecanoylphytosphingosine (CHEBI:140414) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide
Synonyms  Source
(2S,3S,4R)-N-undecanoyl-1-[(α-D-galactopyranosyl)oxy]-2-amino-octadecane-3,4-diolIUPAC
1-O-(α-D-galactopyranosyl)-N-undecanoylphytosphingosineChEBI
(2S,3S,4R)-N-undecanoyl-2-amino-1-[(α-D-galactopyranosyl)oxy]octadecane-3,4-diolChEBI
(2S,3S,4R)-1-[(α-D-galactopyranosyl)oxy]-2-undecanamidooctadecane-3,4-diolChEBI
(2S,3S,4R)-1-[(α-D-galactopyranosyl)oxy]-2-(undecanoylamino)octadecane-3,4-diolChEBI
(2S,3S,4R)-1-[(α-D-galactopyranosyl)oxy]-2-(undecanamido)octadecane-3,4-diolChEBI
Manual XrefsDatabases
F61PDBeChem
Registry NumbersSources
Reaxys:26825767Reaxys
Citations