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CHEBI:528918 - 1-O-(α-D-galactopyranosyl)-N-(10-phenyldecanoyl)phytosphingosine

ChEBI IDCHEBI:528918
ChEBI Name1-O-(α-D-galactopyranosyl)-N-(10-phenyldecanoyl)phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-(10-phenyldecanoyl)phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 10-phenyldecanoyl group attached to the nitrogen.
Last Modified30 November 2017
DownloadsMolfile
FormulaC40H71NO9
Net Charge0
Average Mass710.006
Monoisotopic Mass709.51288
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)CCCCCCCCCc1ccccc1
InChIInChI=1S/C40H71NO9/c1-2-3-4-5-6-7-8-9-10-13-16-22-27-33(43)36(45)32(30-49-40-39(48)38(47)37(46)34(29-42)50-40)41-35(44)28-23-17-14-11-12-15-19-24-31-25-20-18-21-26-31/h18,20-21,25-26,32-34,36-40,42-43,45-48H,2-17,19,22-24,27-30H2,1H3,(H,41,44)/t32-,33+,34+,36-,37-,38-,39+,40-/m0/s1
InChIKeyWQDDUOYIJXNUHJ-WVLAUNTOSA-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-(10-phenyldecanoyl)phytosphingosine (CHEBI:528918) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-(10-phenyldecanoyl)phytosphingosine (CHEBI:528918) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-10-phenyldecanamide
Synonyms  Source
N-((2S,3S,4R)-3,4-dihydroxy-1-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)octadecan-2-yl)-10-phenyldecanamideChEMBL
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-10-phenyldecanamideIUPAC
C10PhChEBI
Manual XrefsDatabases
CA2683681Patent
Registry NumbersSources
Reaxys:18641306Reaxys
Citations