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CHEBI:139169 - 1-O-(α-D-galactopyranosyl)-N-(21-phenylhenicosanoyl)phytosphingosine

ChEBI IDCHEBI:139169
ChEBI Name1-O-(α-D-galactopyranosyl)-N-(21-phenylhenicosanoyl)phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-(21-phenylhenicosanoyl)phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 21-phenylhenicosanoyl group attached to the nitrogen.
Last Modified30 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC51H93NO9
Net Charge0
Average Mass864.303
Monoisotopic Mass863.68503
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)CCCCCCCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C51H93NO9/c1-2-3-4-5-6-7-8-18-21-24-27-33-38-44(54)47(56)43(41-60-51-50(59)49(58)48(57)45(40-53)61-51)52-46(55)39-34-28-25-22-19-16-14-12-10-9-11-13-15-17-20-23-26-30-35-42-36-31-29-32-37-42/h29,31-32,36-37,43-45,47-51,53-54,56-59H,2-28,30,33-35,38-41H2,1H3,(H,52,55)/t43-,44+,45+,47-,48-,49-,50+,51-/m0/s1
InChIKeyMYHHYQCEXAXOLR-SVYZMDQNSA-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-(21-phenylhenicosanoyl)phytosphingosine (CHEBI:139169) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-(21-phenylhenicosanoyl)phytosphingosine (CHEBI:139169) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-21-phenylhenicosanamide
Synonym  Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-21-phenylhenicosanamideIUPAC
Citations