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CHEBI:139176 - 1-O-(α-D-galactopyranosyl)-N-{6-[4-(trifluoromethyl)phenyl]hexanoyl}phytosphingosine

ChEBI IDCHEBI:139176
ChEBI Name1-O-(α-D-galactopyranosyl)-N-{6-[4-(trifluoromethyl)phenyl]hexanoyl}phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-{6-[4-(trifluoromethyl)phenyl]hexanoyl}phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 6-(4-trifluoromethyl)hexanoyl group attached to the nitrogen.
Last Modified30 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC37H62F3NO9
Net Charge0
Average Mass721.895
Monoisotopic Mass721.43767
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(C(F)(F)F)cc1
InChIInChI=1S/C37H62F3NO9/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-29(43)32(45)28(25-49-36-35(48)34(47)33(46)30(24-42)50-36)41-31(44)19-16-13-14-17-26-20-22-27(23-21-26)37(38,39)40/h20-23,28-30,32-36,42-43,45-48H,2-19,24-25H2,1H3,(H,41,44)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1
InChIKeyVPGXAQDNHRIDNI-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)
1-O-(α-D-galactopyranosyl)-N-{6-[4-(trifluoromethyl)phenyl]hexanoyl}phytosphingosine (CHEBI:139176) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-{6-[4-(trifluoromethyl)phenyl]hexanoyl}phytosphingosine (CHEBI:139176) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-6-[4-(trifluoromethyl)phenyl]hexanamide
Synonym  Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-[4-(trifluoromethyl)phenyl]hexanamideIUPAC
Manual XrefsDatabases
CA2683681Patent
Registry NumbersSources
Reaxys:18641309Reaxys
Citations