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

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ChEBI Name 1-O-(α-D-galactopyranosyl)-N-[8-(4-trifluoromethyl)phenyloctanoyl]phytosphingosine ChEBI ID CHEBI:139210 ChEBI ASCII Name 1-O-(alpha-D-galactopyranosyl)-N-[8-(4-trifluoromethyl)phenyloctanoyl]phytosphingosine Definition A glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an 8-[(4-trifluoromethyl)phenyl]octanoyl 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 C39H66F3NO9 Net Charge 0 Average Mass 749.939 Monoisotopic Mass 749.46897 InChI InChI=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 InChIKey VMNDDOUXOXFDRW-ZORUMLJWSA-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(CCCCCCCC2=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-[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]octanamide IUPAC Manual Xref Database CA2683681 Patent View more database links Registry Number Type Source 18641312 Reaxys Registry Number Reaxys Citations Types Sources 18712867 PubMed citation Europe PMC 20616071 PubMed citation Europe PMC Last Modified 08 August 2022