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CHEBI:139175 - N-[6-(4-fluorophenyl)hexanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine

ChEBI IDCHEBI:139175
ChEBI NameN-[6-(4-fluorophenyl)hexanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine
Stars
ASCII NameN-[6-(4-fluorophenyl)hexanoyl]-1-O-(alpha-D-galactopyranosyl)phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 6-(4-fluorophenyl)hexanoyl group attached to the nitrogen.
Last Modified30 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC36H62FNO9
Net Charge0
Average Mass671.888
Monoisotopic Mass671.44086
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)CCCCCc1ccc(F)cc1
InChIInChI=1S/C36H62FNO9/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-29(40)32(42)28(25-46-36-35(45)34(44)33(43)30(24-39)47-36)38-31(41)19-16-13-14-17-26-20-22-27(37)23-21-26/h20-23,28-30,32-36,39-40,42-45H,2-19,24-25H2,1H3,(H,38,41)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1
InChIKeyJHLNYOGBYWZZLI-QNAIHFNASA-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)
N-[6-(4-fluorophenyl)hexanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine (CHEBI:139175) has functional parent α-D-galactose (CHEBI:28061)
N-[6-(4-fluorophenyl)hexanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine (CHEBI:139175) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
6-(4-fluorophenyl)-N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexanamide
Synonyms  Source
6-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}hexanamideIUPAC
1-O-(α-D-galactopyranosyl)-N-[6-(4-fluorophenyl)hexanoyl]phytosphingosineChEBI
Manual XrefsDatabases
CA2683681Patent
Registry NumbersSources
Reaxys:18641303Reaxys
Citations