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CHEBI:139210 - 1-O-(α-D-galactopyranosyl)-N-[8-(4-trifluoromethyl)phenyloctanoyl]phytosphingosine

ChEBI IDCHEBI:139210
ChEBI Name1-O-(α-D-galactopyranosyl)-N-[8-(4-trifluoromethyl)phenyloctanoyl]phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-[8-(4-trifluoromethyl)phenyloctanoyl]phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an 8-[(4-trifluoromethyl)phenyl]octanoyl group attached to the nitrogen.
Last Modified8 August 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H66F3NO9
Net Charge0
Average Mass749.949
Monoisotopic Mass749.46897
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(C(F)(F)F)cc1
InChIInChI=1S/C39H66F3NO9/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-31(45)34(47)30(27-51-38-37(50)36(49)35(48)32(26-44)52-38)43-33(46)21-18-15-12-13-16-19-28-22-24-29(25-23-28)39(40,41)42/h22-25,30-32,34-38,44-45,47-50H,2-21,26-27H2,1H3,(H,43,46)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1
InChIKeyVMNDDOUXOXFDRW-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-trifluoromethyl)phenyloctanoyl]phytosphingosine (CHEBI:139210) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-[8-(4-trifluoromethyl)phenyloctanoyl]phytosphingosine (CHEBI:139210) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-8-[4-(trifluoromethyl)phenyl]octanamide
Synonym  Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-8-[4-(trifluoromethyl)phenyl]octanamideIUPAC
Manual XrefsDatabases
CA2683681Patent
Registry NumbersSources
Reaxys:18641312Reaxys
Citations