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CHEBI:139170 - 1-O-(α-D-galactopyranosyl)-N-(25-phenylpentacosanoyl)phytosphingosine

ChEBI IDCHEBI:139170
ChEBI Name1-O-(α-D-galactopyranosyl)-N-(25-phenylpentacosanoyl)phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-(25-phenylpentacosanoyl)phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 25-phenylpentacosanoyl group attached to the nitrogen.
Last Modified30 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC55H101NO9
Net Charge0
Average Mass920.411
Monoisotopic Mass919.74763
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)CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C55H101NO9/c1-2-3-4-5-6-7-8-22-25-28-31-37-42-48(58)51(60)47(45-64-55-54(63)53(62)52(61)49(44-57)65-55)56-50(59)43-38-32-29-26-23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-27-30-34-39-46-40-35-33-36-41-46/h33,35-36,40-41,47-49,51-55,57-58,60-63H,2-32,34,37-39,42-45H2,1H3,(H,56,59)/t47-,48+,49+,51-,52-,53-,54+,55-/m0/s1
InChIKeyRAHAOVBEMXCOLX-VEDNRHISSA-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-(25-phenylpentacosanoyl)phytosphingosine (CHEBI:139170) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-(25-phenylpentacosanoyl)phytosphingosine (CHEBI:139170) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-25-phenylpentacosanamide
Synonym  Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-25-phenylpentacosanamideIUPAC
Manual XrefsDatabases
CA2683681Patent
Registry NumbersSources
Reaxys:18641324Reaxys
Citations