CHEBI:145456 - 1-O-{4-O-[4-(trifluoromethyl)benzyl]-α-D-galactosyl}-N-hexacosanoylphytosphingosine

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ChEBI Name 1-O-{4-O-[4-(trifluoromethyl)benzyl]-α-D-galactosyl}-N-hexacosanoylphytosphingosine ChEBI ID CHEBI:145456 ChEBI ASCII Name 1-O-{4-O-[4-(trifluoromethyl)benzyl]-alpha-D-galactosyl}-N-hexacosanoylphytosphingosine Definition A glycophytoceramide having a 4-O-[4-(trifluoromethyl)benzyl]-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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C58H104F3NO9 Net Charge 0 Average Mass 1016.463 Monoisotopic Mass 1015.76632 InChI InChI=1S/C58H104F3NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-52(65)62-49(53(66)50(64)38-36-34-32-30-28-16-14-12-10-8-6-4-2)46-70-57-55(68)54(67)56(51(44-63)71-57)69-45-47-40-42-48(43-41-47)58(59,60)61/h40-43,49-51,53-57,63-64,66-68H,3-39,44-46H2,1-2H3,(H,62,65)/t49-,50+,51+,53-,54+,55+,56-,57-/m0/s1 InChIKey HWUZATREPHXBRD-VSVWWTSQSA-N SMILES O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC=2C=CC(=CC2)C(F)(F)F)O)O)C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via N-acylphytosphingosine ) View more via ChEBI Ontology ChEBI Ontology Outgoing 1-O-{4-O-[4-(trifluoromethyl)benzyl]-α-D-galactosyl}-N-hexacosanoylphytosphingosine (CHEBI:145456) has functional parent α-D-galactose (CHEBI:28061) 1-O-{4-O-[4-(trifluoromethyl)benzyl]-α-D-galactosyl}-N-hexacosanoylphytosphingosine (CHEBI:145456) is a glycophytoceramide (CHEBI:59389) IUPAC Name N-{(2S,3S,4R)-3,4-dihydroxy-1-[(4-O-{[4-(trifluoromethyl)phenyl]methyl}-α-D-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide Synonyms Sources (2S,3S,4R)-1-{4-O-[4-(trifluoromethyl)benzyl]-α-D-galactopyranosyloxy}-2-hexacosanoylaminooctadecane-3,4-diol ChEBI N-((2S,3S,4R)-1-{4-O-[4-(trifluoromethyl)benzyl]-α-D-galactosyloxy}-3,4-dihydroxyoctadecan-2-yl)hexacosanamide ChEBI N-[(2S,3S,4R)-3,4-dihydroxy-1-({4-O-[4-(trifluoromethyl)benzyl]-α-D-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide IUPAC N-{(2S,3S,4R)-3,4-dihydroxy-1-[(4-O-{[4-(trifluoromethyl)phenyl]methyl}-alpha-D-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide PDBeChem Manual Xref Database JUD PDBeChem View more database links Citation Type Source 30556652 PubMed citation Europe PMC Last Modified 26 April 2021