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CHEBI:139216 - N-[11-([1,1'-biphenyl]-4-yl)undecanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine

ChEBI IDCHEBI:139216
ChEBI NameN-[11-([1,1'-biphenyl]-4-yl)undecanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine
Stars
ASCII NameN-[11-([1,1'-biphenyl]-4-yl)undecanoyl]-1-O-(alpha-D-galactopyranosyl)phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an 11-([1,1'-biphenyl]-4-yl)undecanoyl group attached to the nitrogen.
Last Modified4 December 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC47H77NO9
Net Charge0
Average Mass800.131
Monoisotopic Mass799.55983
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(-c2ccccc2)cc1
InChIInChI=1S/C47H77NO9/c1-2-3-4-5-6-7-8-9-10-14-17-23-28-40(50)43(52)39(35-56-47-46(55)45(54)44(53)41(34-49)57-47)48-42(51)29-24-18-15-12-11-13-16-20-25-36-30-32-38(33-31-36)37-26-21-19-22-27-37/h19,21-22,26-27,30-33,39-41,43-47,49-50,52-55H,2-18,20,23-25,28-29,34-35H2,1H3,(H,48,51)/t39-,40+,41+,43-,44-,45-,46+,47-/m0/s1
InChIKeyMIVUYAGDSZNGSM-IBYAKCASSA-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)
N-[11-([1,1'-biphenyl]-4-yl)undecanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine (CHEBI:139216) has functional parent α-D-galactose (CHEBI:28061)
N-[11-([1,1'-biphenyl]-4-yl)undecanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine (CHEBI:139216) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
11-([1,1'-biphenyl]-4-yl)-N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide
Synonyms  Source
1-O-(α-D-galactopyranosyl)-N-[11-([1,1'-biphenyl]-4-yl)undecanoyl]phytosphingosineChEBI
11-([1,1'-biphenyl]-4-yl)-N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}undecanamideIUPAC
Manual XrefsDatabases
CA2683681Patent
Registry NumbersSources
Reaxys:18641316Reaxys
Citations