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CHEBI:139211 - N-[8-([1,1'-biphenyl]-4-yl)octanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine

ChEBI IDCHEBI:139211
ChEBI NameN-[8-([1,1'-biphenyl]-4-yl)octanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine
Stars
ASCII NameN-[8-([1,1'-biphenyl]-4-yl)octanoyl]-1-O-(alpha-D-galactopyranosyl)phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an 8-([1,1'-biphenyl]-4-yl)octanoyl group attached to the nitrogen.
Last Modified4 December 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC44H71NO9
Net Charge0
Average Mass758.050
Monoisotopic Mass757.51288
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)CCCCCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C44H71NO9/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-37(47)40(49)36(32-53-44-43(52)42(51)41(50)38(31-46)54-44)45-39(48)26-21-15-12-13-17-22-33-27-29-35(30-28-33)34-23-18-16-19-24-34/h16,18-19,23-24,27-30,36-38,40-44,46-47,49-52H,2-15,17,20-22,25-26,31-32H2,1H3,(H,45,48)/t36-,37+,38+,40-,41-,42-,43+,44-/m0/s1
InChIKeyWWYKWFIXNRRKKH-UHTOCBDZSA-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-[8-([1,1'-biphenyl]-4-yl)octanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine (CHEBI:139211) has functional parent α-D-galactose (CHEBI:28061)
N-[8-([1,1'-biphenyl]-4-yl)octanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine (CHEBI:139211) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
8-([1,1'-biphenyl]-4-yl)-N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]octanamide
Synonyms  Source
1-O-(α-D-galactopyranosyl)-N-[9-([1,1'-biphenyl]-4-yl)octanoyl]phytosphingosineChEBI
8-([1,1'-biphenyl]-4-yl)-N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}octanamideIUPAC
Manual XrefsDatabases
CA2683681Patent
Citations