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CHEBI:60752 - 1-O-(α-D-galactopyranosyl)-N-[8-(4-fluorophenyl)octanoyl]phytosphingosine

ChEBI IDCHEBI:60752
ChEBI Name1-O-(α-D-galactopyranosyl)-N-[8-(4-fluorophenyl)octanoyl]phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-[8-(4-fluorophenyl)octanoyl]phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an 8-(4-fluorophenyl)octanoyl group attached to the nitrogen.
Last Modified4 December 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC38H66FNO9
Net Charge0
Average Mass699.942
Monoisotopic Mass699.47216
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)CCCCCCCc1ccc(F)cc1
InChIInChI=1S/C38H66FNO9/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-31(42)34(44)30(27-48-38-37(47)36(46)35(45)32(26-41)49-38)40-33(43)21-18-15-12-13-16-19-28-22-24-29(39)25-23-28/h22-25,30-32,34-38,41-42,44-47H,2-21,26-27H2,1H3,(H,40,43)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1
InChIKeyFBUHIWMNUBFIJZ-ZORUMLJWSA-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-[8-(4-fluorophenyl)octanoyl]phytosphingosine (CHEBI:60752) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-[8-(4-fluorophenyl)octanoyl]phytosphingosine (CHEBI:60752) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
8-(4-fluorophenyl)-N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]octanamide
Synonyms  Source
8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamideIUPAC
C8PhFChEBI
Manual XrefsDatabases
CA2683681Patent
Registry NumbersSources
Reaxys:18641305Reaxys
Citations