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CHEBI:63002 - 1-O-(3-deoxy-α-D-galactopyranosyl)-N-hexacosanoylsphinganine

ChEBI IDCHEBI:63002
ChEBI Name1-O-(3-deoxy-α-D-galactopyranosyl)-N-hexacosanoylsphinganine
Stars
ASCII Name1-O-(3-deoxy-alpha-D-galactopyranosyl)-N-hexacosanoylsphinganine
DefinitionA glycodohydroceramide having a 3-deoxy-α-D-galactopyranosyl 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@H](O)C[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C50H99NO7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-49(56)51-44(43-57-50-47(55)41-46(54)48(42-52)58-50)45(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h44-48,50,52-55H,3-43H2,1-2H3,(H,51,56)/t44-,45+,46+,47+,48+,50-/m0/s1
InChIKeyXFTWWKOPEFGPIP-AYIWZJAFSA-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-(3-deoxy-α-D-galactopyranosyl)-N-hexacosanoylsphinganine (CHEBI:63002) is a glycodihydroceramide (CHEBI:60451)
IUPAC Name 
N-{(2S,3R)-1-[(3-deoxy-α-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
Synonyms  Source
3',4''-deoxy-α-GalCerChEBI
3-deoxy-Galα-Cer(d18:0/26:0)ChEBI
(2S,3R)-1-(3''-deoxy-α-D-galactopyranosyl)-2-hexacosanoylaminooctadecane-3-olChEBI
N-{(2S,3R)-1-[(3-deoxy-α-D-galactopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamideChEBI
Registry NumbersSources
Reaxys:20130151Reaxys
Citations