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CHEBI:145488 - 1-O-[4-O-(6-phenylhexyl)-α-D-galactosyl]-N-hexacosanoylphytosphingosine

ChEBI IDCHEBI:145488
ChEBI Name1-O-[4-O-(6-phenylhexyl)-α-D-galactosyl]-N-hexacosanoylphytosphingosine
Stars
ASCII Name1-O-[4-O-(6-phenylhexyl)-alpha-D-galactosyl]-N-hexacosanoylphytosphingosine
DefinitionA glycophytoceramide having a 4-O-(6-phenylhexyl)-α-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated α-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens.
Last Modified25 November 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC62H115NO9
Net Charge0
Average Mass1018.600
Monoisotopic Mass1017.85718
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](OCCCCCCc2ccccc2)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C62H115NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-43-49-57(66)63-54(58(67)55(65)48-42-34-32-30-28-16-14-12-10-8-6-4-2)52-71-62-60(69)59(68)61(56(51-64)72-62)70-50-44-37-36-39-45-53-46-40-38-41-47-53/h38,40-41,46-47,54-56,58-62,64-65,67-69H,3-37,39,42-45,48-52H2,1-2H3,(H,63,66)/t54-,55+,56+,58-,59+,60+,61-,62-/m0/s1
InChIKeyVTJQCKLILVTBQQ-ICLDEZBGSA-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-[4-O-(6-phenylhexyl)-α-D-galactosyl]-N-hexacosanoylphytosphingosine (CHEBI:145488) has functional parent α-D-galactose (CHEBI:28061)
1-O-[4-O-(6-phenylhexyl)-α-D-galactosyl]-N-hexacosanoylphytosphingosine (CHEBI:145488) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-(6-phenylhexyl)-α-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
Synonyms  Source
N-{(2S,3S,4R)-1-[4-O-(6-phenylhexyl)-α-D-galactosyloxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamideChEBI
(2S,3S,4R)-1-[4-O-(6-phenylhexyl)-α-D-galactopyranosyloxy]-2-hexacosanoylaminooctadecane-3,4-diolChEBI
Citations