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CHEBI:139213 - 1-O-(α-D-galactopyranosyl)-N-[11-(4-methoxyphenyl)undecanoyl]phytosphingosine

ChEBI IDCHEBI:139213
ChEBI Name1-O-(α-D-galactopyranosyl)-N-[11-(4-methoxyphenyl)undecanoyl]phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-[11-(4-methoxyphenyl)undecanoyl]phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an 11-(4-methoxyphenyl)undecanoyl group attached to the nitrogen.
Last Modified4 December 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H75NO10
Net Charge0
Average Mass754.059
Monoisotopic Mass753.53910
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(OC)cc1
InChIInChI=1S/C42H75NO10/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-35(45)38(47)34(31-52-42-41(50)40(49)39(48)36(30-44)53-42)43-37(46)25-22-19-16-13-12-14-17-20-23-32-26-28-33(51-2)29-27-32/h26-29,34-36,38-42,44-45,47-50H,3-25,30-31H2,1-2H3,(H,43,46)/t34-,35+,36+,38-,39-,40-,41+,42-/m0/s1
InChIKeyCMJVYOWZSKQYGL-LQPUHCPASA-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-methoxyphenyl)undecanoyl]phytosphingosine (CHEBI:139213) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-[11-(4-methoxyphenyl)undecanoyl]phytosphingosine (CHEBI:139213) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-11-(4-methoxyphenyl)undecanamide
Synonym  Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-11-(4-methoxyphenyl)undecanamideIUPAC
Registry NumbersSources
Reaxys:18885434Reaxys
Citations