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CHEBI:145530 - 1-O-(4-O-propyl-α-D-galactosyl)-N-hexacosanoylphytosphingosine

ChEBI IDCHEBI:145530
ChEBI Name1-O-(4-O-propyl-α-D-galactosyl)-N-hexacosanoylphytosphingosine
Stars
ASCII Name1-O-(4-O-propyl-alpha-D-galactosyl)-N-hexacosanoylphytosphingosine
DefinitionA glycophytoceramide having a 4-O-propyl-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 Modified27 November 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC53H105NO9
Net Charge0
Average Mass900.421
Monoisotopic Mass899.77893
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](OCCC)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C53H105NO9/c1-4-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-48(57)54-45(44-62-53-51(60)50(59)52(61-42-6-3)47(43-55)63-53)49(58)46(56)40-38-36-34-32-30-18-16-14-12-10-8-5-2/h45-47,49-53,55-56,58-60H,4-44H2,1-3H3,(H,54,57)/t45-,46+,47+,49-,50+,51+,52-,53-/m0/s1
InChIKeySUDMYAISYVQOGJ-BDHLTHOMSA-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-propyl-α-D-galactosyl)-N-hexacosanoylphytosphingosine (CHEBI:145530) has functional parent α-D-galactose (CHEBI:28061)
1-O-(4-O-propyl-α-D-galactosyl)-N-hexacosanoylphytosphingosine (CHEBI:145530) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-propyl-α-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
Synonyms  Source
N-{(2S,3S,4R)-1-[(4-O-propyl-α-D-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamideIUPAC
(2S,3S,4R)-1-(4-O-propyl-α-D-galactopyranosyloxy)-2-hexacosanoylaminooctadecane-3,4-diolChEBI
N-[(2S,3S,4R)-1-(4-O-propyl-α-D-galactosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamideChEBI
N-[(2S,3S,4R)-3,4-dihydroxy-1-(4-O-propyl-α-D-galactopyranosyloxy)octadecan-2-yl]hexacosanamideIUPAC