EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:144313 - α-C-GalCer

ChEBI IDCHEBI:144313
ChEBI Nameα-C-GalCer
Stars
ASCII Namealpha-C-GalCer
DefinitionA neoglycosphingolipid that is a synthesized C-glycosyl analogue of myelin-derived galactosylceramide (Mye-GalCer).
Last Modified23 July 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC55H109NO8
Net Charge0
Average Mass912.476
Monoisotopic Mass911.81532
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C55H109NO8/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-43-51(59)56-47(44-45-49-53(61)55(63)54(62)50(46-57)64-49)52(60)48(58)42-40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2/h47-50,52-55,57-58,60-63H,3-46H2,1-2H3,(H,56,59)/t47-,48+,49+,50+,52-,53-,54-,55+/m0/s1
InChIKeyMYYARUCLXARAEE-ZATZPJRKSA-N
ChEBI Ontology
Outgoing Relation(s)
α-C-GalCer (CHEBI:144313) is a C-glycosyl compound (CHEBI:20857)
α-C-GalCer (CHEBI:144313) is a neoglycosphingolipid (CHEBI:51021)
Incoming Relation(s)
α-C(F)-GalCer (CHEBI:144314) has functional parent α-C-GalCer (CHEBI:144313)
IUPAC Name 
(1R)-1,5-anhydro-1-[(3S,4S,5R)-3-(heptacosanoylamino)-4,5-dihydroxydocosyl]-D-galactitol
Synonym  Source
α-C-galactosylceramideChEBI
Citations