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CHEBI:145487 - 1-O-[4-O-(5-phenylpentyl)-α-D-galactosyl]-N-hexacosanoylphytosphingosine

ChEBI IDCHEBI:145487
ChEBI Name1-O-[4-O-(5-phenylpentyl)-α-D-galactosyl]-N-hexacosanoylphytosphingosine
Stars
ASCII Name1-O-[4-O-(5-phenylpentyl)-alpha-D-galactosyl]-N-hexacosanoylphytosphingosine
DefinitionA glycophytoceramide having a 4-O-(5-phenylpentyl)-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
FormulaC61H113NO9
Net Charge0
Average Mass1004.573
Monoisotopic Mass1003.84153
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](OCCCCCc2ccccc2)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C61H113NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-42-48-56(65)62-53(57(66)54(64)47-41-34-32-30-28-16-14-12-10-8-6-4-2)51-70-61-59(68)58(67)60(55(50-63)71-61)69-49-43-37-40-46-52-44-38-36-39-45-52/h36,38-39,44-45,53-55,57-61,63-64,66-68H,3-35,37,40-43,46-51H2,1-2H3,(H,62,65)/t53-,54+,55+,57-,58+,59+,60-,61-/m0/s1
InChIKeyLRDBUWYTRIQWSU-MKIYICHJSA-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-(5-phenylpentyl)-α-D-galactosyl]-N-hexacosanoylphytosphingosine (CHEBI:145487) has functional parent α-D-galactose (CHEBI:28061)
1-O-[4-O-(5-phenylpentyl)-α-D-galactosyl]-N-hexacosanoylphytosphingosine (CHEBI:145487) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-(5-phenylpentyl)-α-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
Synonyms  Source
(2S,3S,4R)-1-[4-O-(5-phenylpentyl)-α-D-galactopyranosyloxy]-2-hexacosanoylaminooctadecane-3,4-diolChEBI
N-{(2S,3S,4R)-1-[4-O-(5-phenylpentyl)-α-D-galactosyloxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamideChEBI
Citations