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CHEBI:73554 - 1-O-{6-deoxy-6-[N'-(1-naphthyl)ureido]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine

ChEBI IDCHEBI:73554
ChEBI Name1-O-{6-deoxy-6-[N'-(1-naphthyl)ureido]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine
Stars
ASCII Name1-O-{6-deoxy-6-[N'-(1-naphthyl)ureido]-alpha-D-galactopyranosyl}-N-hexacosanoylphytosphingosine
DefinitionA glycophytoceramide having a 6-deoxy-6-(N'-naphthoureido)-α-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen.
Last Modified9 May 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC61H107N3O9
Net Charge0
Average Mass1026.539
Monoisotopic Mass1025.80073
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CNC(=O)Nc2cccc3ccccc23)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C61H107N3O9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-46-55(66)63-52(56(67)53(65)45-36-34-32-30-28-16-14-12-10-8-6-4-2)48-72-60-59(70)58(69)57(68)54(73-60)47-62-61(71)64-51-44-40-42-49-41-38-39-43-50(49)51/h38-44,52-54,56-60,65,67-70H,3-37,45-48H2,1-2H3,(H,63,66)(H2,62,64,71)/t52-,53+,54+,56-,57-,58-,59+,60-/m0/s1
InChIKeyLYMLSPSPEXPNPQ-DBQLOCGYSA-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-deoxy-6-[N'-(1-naphthyl)ureido]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine (CHEBI:73554) has functional parent phytosphingosine (CHEBI:46961)
1-O-{6-deoxy-6-[N'-(1-naphthyl)ureido]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine (CHEBI:73554) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-α-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
Synonyms  Source
1-O-{6-deoxy-6-[3-(1-naphthyl)ureido]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosineIUPAC
NU-α-GalCerChEBI
1-O-(6-naphthoureido-6-deoxy-α-D-galactopyranosyl)-2-hexacosylamino-1,3,4-octadecanetriolChEBI
Registry NumbersSources
Reaxys:19094803Reaxys
CAS:1089188-08-8Reaxys
Citations