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CHEBI:139168 - 1-O-(α-D-galactopyranosyl)-N-(15-phenylpentadecanoyl)phytosphingosine

ChEBI IDCHEBI:139168
ChEBI Name1-O-(α-D-galactopyranosyl)-N-(15-phenylpentadecanoyl)phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-(15-phenylpentadecanoyl)phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 15-phenylpentadecanoyl group attached to the nitrogen.
Last Modified30 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC45H81NO9
Net Charge0
Average Mass780.141
Monoisotopic Mass779.59113
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)CCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C45H81NO9/c1-2-3-4-5-6-7-8-12-15-18-21-27-32-38(48)41(50)37(35-54-45-44(53)43(52)42(51)39(34-47)55-45)46-40(49)33-28-22-19-16-13-10-9-11-14-17-20-24-29-36-30-25-23-26-31-36/h23,25-26,30-31,37-39,41-45,47-48,50-53H,2-22,24,27-29,32-35H2,1H3,(H,46,49)/t37-,38+,39+,41-,42-,43-,44+,45-/m0/s1
InChIKeyLLJAWVSVBUNVLO-FPEIYDPGSA-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-galactopyranosyl)-N-(15-phenylpentadecanoyl)phytosphingosine (CHEBI:139168) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-15-phenylpentadecanamide
Synonym  Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-15-phenylpentadecanamideIUPAC
Manual XrefsDatabases
CA2683681Patent
Registry NumbersSources
Reaxys:18641317Reaxys
Citations