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CHEBI:86489 - 1-O-(α-D-galactopyranosyl)-N-[11-(4-fluorophenyl)undecanoyl]phytosphingosine

ChEBI IDCHEBI:86489
ChEBI Name1-O-(α-D-galactopyranosyl)-N-[11-(4-fluorophenyl)undecanoyl]phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-[11-(4-fluorophenyl)undecanoyl]phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an 11-(4-fluorophenyl)undecanoyl group attached to the nitrogen.
Last Modified15 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC41H72FNO9
Net Charge0
Average Mass742.023
Monoisotopic Mass741.51911
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)CCCCCCCCCCc1ccc(F)cc1
InChIInChI=1S/C41H72FNO9/c1-2-3-4-5-6-7-8-9-10-14-17-20-23-34(45)37(47)33(30-51-41-40(50)39(49)38(48)35(29-44)52-41)43-36(46)24-21-18-15-12-11-13-16-19-22-31-25-27-32(42)28-26-31/h25-28,33-35,37-41,44-45,47-50H,2-24,29-30H2,1H3,(H,43,46)/t33-,34+,35+,37-,38-,39-,40+,41-/m0/s1
InChIKeyGIXLTJURKGIRDL-IWVUWWQKSA-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-[11-(4-fluorophenyl)undecanoyl]phytosphingosine (CHEBI:86489) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-[11-(4-fluorophenyl)undecanoyl]phytosphingosine (CHEBI:86489) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
11-(4-fluorophenyl)-N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide
Manual XrefsDatabases
7DWPDBeChem
Registry NumbersSources
Reaxys:18641313Reaxys
Citations