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CHEBI:76100 - 1-O-[6-O-(4-pyridylcarbamoyl)-α-D-galactopyranosyl]-N-hexacosanoylphytosphingosine

ChEBI IDCHEBI:76100
ChEBI Name1-O-[6-O-(4-pyridylcarbamoyl)-α-D-galactopyranosyl]-N-hexacosanoylphytosphingosine
Stars
ASCII Name1-O-[6-O-(4-pyridylcarbamoyl)-alpha-D-galactopyranosyl]-N-hexacosanoylphytosphingosine
DefinitionA glycophytoceramide having a 6-O-(4-pyridylcarbamoyl)-α-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen.
Last Modified28 October 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC56H103N3O10
Net Charge0
Average Mass978.451
Monoisotopic Mass977.76435
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)Nc2ccncc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C56H103N3O10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-50(61)59-47(51(62)48(60)38-36-34-32-30-28-16-14-12-10-8-6-4-2)44-67-55-54(65)53(64)52(63)49(69-55)45-68-56(66)58-46-40-42-57-43-41-46/h40-43,47-49,51-55,60,62-65H,3-39,44-45H2,1-2H3,(H,59,61)(H,57,58,66)/t47-,48+,49+,51-,52-,53-,54+,55-/m0/s1
InChIKeyGONJMTFPPNECAU-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-[6-O-(4-pyridylcarbamoyl)-α-D-galactopyranosyl]-N-hexacosanoylphytosphingosine (CHEBI:76100) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-{(2S,3S,4R)-3,4-dihydroxy-1-[6-O-(pyridin-4-ylcarbamoyl)-α-D-galactopyranosyloxy]octadecan-2-yl}hexacosanamide
Synonyms  Source
α-GalCer-6"-(pyridin-4-yl)carbamateChEBI
α-GalCer-6"-(4-pyridyl)carbamateChEBI
PyrC-α-GalCerChEBI
Manual XrefsDatabases
1LAPDBeChem
Citations