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

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ChEBI Name 1-O-(α-D-galactopyranosyl)-N-{6-[4-(trifluoromethyl)phenyl]hexanoyl}phytosphingosine ChEBI ID CHEBI:139176 ChEBI ASCII Name 1-O-(alpha-D-galactopyranosyl)-N-{6-[4-(trifluoromethyl)phenyl]hexanoyl}phytosphingosine Definition A glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 6-(4-trifluoromethyl)hexanoyl group attached to the nitrogen. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C37H62F3NO9 Net Charge 0 Average Mass 721.886 Monoisotopic Mass 721.43767 InChI InChI=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 InChIKey VPGXAQDNHRIDNI-QNAIHFNASA-N SMILES [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCC2=CC=C(C=C2)C(F)(F)F)=O Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via N-acylphytosphingosine ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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]hexanamide IUPAC Manual Xref Database CA2683681 Patent View more database links Registry Number Type Source 18641309 Reaxys Registry Number Reaxys Citation Type Source 20616071 PubMed citation Europe PMC Last Modified 30 November 2017