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CHEBI:63003 - 1-O-(4-deoxy-α-D-xylo-hexopyranosyl)-N-hexacosanoylsphinganine

ChEBI IDCHEBI:63003
ChEBI Name1-O-(4-deoxy-α-D-xylo-hexopyranosyl)-N-hexacosanoylsphinganine
Stars
ASCII Name1-O-(4-deoxy-alpha-D-xylo-hexopyranosyl)-N-hexacosanoylsphinganine
DefinitionA glycodohydroceramide having a 4-deoxy-α-D-xylo-hexopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen.
Last Modified5 October 2011
SubmitterSteve
DownloadsMolfile
FormulaC50H99NO7
Net Charge0
Average Mass826.342
Monoisotopic Mass825.74215
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)C[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C50H99NO7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(55)51-45(43-57-50-49(56)47(54)41-44(42-52)58-50)46(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h44-47,49-50,52-54,56H,3-43H2,1-2H3,(H,51,55)/t44-,45-,46+,47-,49+,50-/m0/s1
InChIKeySBJWEMJDCMAIOT-AHRAGLCISA-N
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-O-(4-deoxy-α-D-xylo-hexopyranosyl)-N-hexacosanoylsphinganine (CHEBI:63003) is a glycodihydroceramide (CHEBI:60451)
IUPAC Name 
N-{(2S,3R)-1-[(4-deoxy-α-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
Synonyms  Source
N-{(2S,3R)-1-[(4-deoxy-α-D-galactopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamideChEBI
4',4''-deoxy-α-GalCerChEBI
(2S,3R)-1-(4''-deoxy-α-D-galactopyranosyl)-2-hexacosanoylaminooctadecane-3-olChEBI
4-deoxy-Galα-Cer(d18:0/26:0)ChEBI
1-O-(4-deoxy-α-D-galactopyranosyl)-N-hexacosanoylsphinganineChEBI
Registry NumbersSources
Reaxys:20130150Reaxys
Citations