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CHEBI:139204 - 1-O-(α-D-galactopyranosyl)-N-[8-(4-methoxyphenyl)octanoyl]phytosphingosine

ChEBI IDCHEBI:139204
ChEBI Name1-O-(α-D-galactopyranosyl)-N-[8-(4-methoxyphenyl)octanoyl]phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-[8-(4-methoxyphenyl)octanoyl]phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an 8-(4-methoxyphenyl)octanoyl group attached to the nitrogen.
Last Modified4 December 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H69NO10
Net Charge0
Average Mass711.978
Monoisotopic Mass711.49215
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(OC)cc1
InChIInChI=1S/C39H69NO10/c1-3-4-5-6-7-8-9-10-11-12-15-18-21-32(42)35(44)31(28-49-39-38(47)37(46)36(45)33(27-41)50-39)40-34(43)22-19-16-13-14-17-20-29-23-25-30(48-2)26-24-29/h23-26,31-33,35-39,41-42,44-47H,3-22,27-28H2,1-2H3,(H,40,43)/t31-,32+,33+,35-,36-,37-,38+,39-/m0/s1
InChIKeyGIBYOMCZZPYVIB-CLTBVUQJSA-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-methoxyphenyl)octanoyl]phytosphingosine (CHEBI:139204) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-[8-(4-methoxyphenyl)octanoyl]phytosphingosine (CHEBI:139204) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-8-(4-methoxyphenyl)octanamide
Synonym  Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-8-(4-methoxyphenyl)octanamideIUPAC
Manual XrefsDatabases
CA2683681Patent
Registry NumbersSources
Reaxys:18641308Reaxys
Citations