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CHEBI:139178 - N-[6-([1,1'-biphenyl]-4-yl)hexanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine

ChEBI IDCHEBI:139178
ChEBI NameN-[6-([1,1'-biphenyl]-4-yl)hexanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine
Stars
ASCII NameN-[6-([1,1'-biphenyl]-4-yl)hexanoyl]-1-O-(alpha-D-galactopyranosyl)phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 6-([1,1'-biphenyl]-4-yl)hexanoyl group attached to the nitrogen.
Last Modified30 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H67NO9
Net Charge0
Average Mass729.996
Monoisotopic Mass729.48158
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(-c2ccccc2)cc1
InChIInChI=1S/C42H67NO9/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-35(45)38(47)34(30-51-42-41(50)40(49)39(48)36(29-44)52-42)43-37(46)24-19-13-15-20-31-25-27-33(28-26-31)32-21-16-14-17-22-32/h14,16-17,21-22,25-28,34-36,38-42,44-45,47-50H,2-13,15,18-20,23-24,29-30H2,1H3,(H,43,46)/t34-,35+,36+,38-,39-,40-,41+,42-/m0/s1
InChIKeyVATXXYXCFUBOJL-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)
N-[6-([1,1'-biphenyl]-4-yl)hexanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine (CHEBI:139178) has functional parent α-D-galactose (CHEBI:28061)
N-[6-([1,1'-biphenyl]-4-yl)hexanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine (CHEBI:139178) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
6-([1,1'-biphenyl]-4-yl)-N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexanamide
Synonyms  Source
6-([1,1'-biphenyl]-4-yl)-N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}hexanamideIUPAC
1-O-(α-D-galactopyranosyl)-N-[6-([1,1'-biphenyl]-4-yl)hexanoyl]phytosphingosineChEBI
Manual XrefsDatabases
CA2683681Patent
Registry NumbersSources
Reaxys:18641307Reaxys
Citations