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CHEBI:139174 - 1-O-(α-D-galactopyranosyl)-N-[6-(4-methoxyphenyl)hexanoyl]phytosphingosine

ChEBI IDCHEBI:139174
ChEBI Name1-O-(α-D-galactopyranosyl)-N-[6-(4-methoxyphenyl)hexanoyl]phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-[6-(4-methoxyphenyl)hexanoyl]phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 6-(4-methoxyphenyl)hexanoyl group attached to the nitrogen.
Last Modified30 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC37H65NO10
Net Charge0
Average Mass683.924
Monoisotopic Mass683.46085
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)CCCCCc1ccc(OC)cc1
InChIInChI=1S/C37H65NO10/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-30(40)33(42)29(26-47-37-36(45)35(44)34(43)31(25-39)48-37)38-32(41)20-17-14-15-18-27-21-23-28(46-2)24-22-27/h21-24,29-31,33-37,39-40,42-45H,3-20,25-26H2,1-2H3,(H,38,41)/t29-,30+,31+,33-,34-,35-,36+,37-/m0/s1
InChIKeyXVJJRCKMPNVUNA-HBGSFDFLSA-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-[6-(4-methoxyphenyl)hexanoyl]phytosphingosine (CHEBI:139174) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-[6-(4-methoxyphenyl)hexanoyl]phytosphingosine (CHEBI:139174) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-6-(4-methoxyphenyl)hexanamide
Synonym  Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-6-(4-methoxyphenyl)hexanamideIUPAC
Manual XrefsDatabases
CA2683681Patent
Registry NumbersSources
Reaxys:18641302Reaxys
Citations