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CHEBI:139141 - 1-O-(α-D-galactopyranosyl)-N-(7-phenylheptanoyl)phytosphingosine

ChEBI IDCHEBI:139141
ChEBI Name1-O-(α-D-galactopyranosyl)-N-(7-phenylheptanoyl)phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-(7-phenylheptanoyl)phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 7-phenylheptanoyl group attached to the nitrogen.
Last Modified23 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC37H65NO9
Net Charge0
Average Mass667.925
Monoisotopic Mass667.46593
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)CCCCCCc1ccccc1
InChIInChI=1S/C37H65NO9/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-30(40)33(42)29(27-46-37-36(45)35(44)34(43)31(26-39)47-37)38-32(41)25-20-14-13-16-21-28-22-17-15-18-23-28/h15,17-18,22-23,29-31,33-37,39-40,42-45H,2-14,16,19-21,24-27H2,1H3,(H,38,41)/t29-,30+,31+,33-,34-,35-,36+,37-/m0/s1
InChIKeyYAQAUPXPTIZBEX-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-(7-phenylheptanoyl)phytosphingosine (CHEBI:139141) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-(7-phenylheptanoyl)phytosphingosine (CHEBI:139141) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-7-phenylheptanamide
Synonym  Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-7-phenylheptanamideIUPAC
Registry NumbersSources
Reaxys:15490742Reaxys
Citations