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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-O-(3-deoxy-α-D-galactopyranosyl)-N-hexacosanoylsphinganine
ChEBI ID CHEBI:63002
ChEBI ASCII Name 1-O-(3-deoxy-alpha-D-galactopyranosyl)-N-hexacosanoylsphinganine
Definition A glycodohydroceramide having a 3-deoxy-α-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C50H99NO7
Net Charge 0
Average Mass 826.32360
Monoisotopic Mass 825.74215
InChI InChI=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
InChIKey XFTWWKOPEFGPIP-AYIWZJAFSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)C[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via N-acylsphinganine )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via N-acylsphinganine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(2S,3R)-1-(3''-deoxy-α-D-galactopyranosyl)-2-hexacosanoylaminooctadecane-3-ol ChEBI
3',4''-deoxy-α-GalCer ChEBI
3-deoxy-Galα-Cer(d18:0/26:0) ChEBI
N-{(2S,3R)-1-[(3-deoxy-α-D-galactopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide ChEBI
Registry Number Type Source
20130151 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19535248 PubMed citation Europe PMC
21376639 PubMed citation Europe PMC
Last Modified
05 October 2011