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CHEBI:139214 - 1-O-(α-D-galactopyranosyl)-N-{11-[4-(trifluoromethyl)phenyl]undecanoyl}phytosphingosine

ChEBI IDCHEBI:139214
ChEBI Name1-O-(α-D-galactopyranosyl)-N-{11-[4-(trifluoromethyl)phenyl]undecanoyl}phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-{11-[4-(trifluoromethyl)phenyl]undecanoyl}phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an 11-(4-trifluoromethyl)undecanoyl group attached to the nitrogen.
Last Modified4 December 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H72F3NO9
Net Charge0
Average Mass792.030
Monoisotopic Mass791.51592
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(C(F)(F)F)cc1
InChIInChI=1S/C42H72F3NO9/c1-2-3-4-5-6-7-8-9-10-14-17-20-23-34(48)37(50)33(30-54-41-40(53)39(52)38(51)35(29-47)55-41)46-36(49)24-21-18-15-12-11-13-16-19-22-31-25-27-32(28-26-31)42(43,44)45/h25-28,33-35,37-41,47-48,50-53H,2-24,29-30H2,1H3,(H,46,49)/t33-,34+,35+,37-,38-,39-,40+,41-/m0/s1
InChIKeyHLMJIWYZKOHAHI-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-(trifluoromethyl)phenyl]undecanoyl}phytosphingosine (CHEBI:139214) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-{11-[4-(trifluoromethyl)phenyl]undecanoyl}phytosphingosine (CHEBI:139214) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-11-[4-(trifluoromethyl)phenyl]undecanamide
Synonym  Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-11-[4-(trifluoromethyl)phenyl]undecanamideIUPAC
Manual XrefsDatabases
CA2683681Patent
Registry NumbersSources
Reaxys:18641315Reaxys
Citations