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CHEBI:144314 - α-C(F)-GalCer

ChEBI IDCHEBI:144314
ChEBI Nameα-C(F)-GalCer
Stars
ASCII Namealpha-C(F)-GalCer
DefinitionA neoglycosphingolipid that is fluorinated α-C-GalCer, a synthesized C-clycosyl analogue of myelin-derived galactosylceramide (Mye-GalCer).
Last Modified23 July 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC55H108FNO8
Net Charge0
Average Mass930.466
Monoisotopic Mass929.80590
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](C[C@@H](F)[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C55H108FNO8/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(60)57-47(44-46(56)55-54(64)53(63)52(62)49(45-58)65-55)51(61)48(59)42-40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2/h46-49,51-55,58-59,61-64H,3-45H2,1-2H3,(H,57,60)/t46-,47+,48-,49-,51+,52+,53+,54-,55-/m1/s1
InChIKeyXAIBDKMMUMGKEE-SLZKIMTDSA-N
ChEBI Ontology
Outgoing Relation(s)
α-C(F)-GalCer (CHEBI:144314) has functional parent α-C-GalCer (CHEBI:144313)
α-C(F)-GalCer (CHEBI:144314) is a C-glycosyl compound (CHEBI:20857)
α-C(F)-GalCer (CHEBI:144314) is a neoglycosphingolipid (CHEBI:51021)
α-C(F)-GalCer (CHEBI:144314) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
(1S)-1,5-anhydro-1-[(1R,3S,4S,5R)-1-fluoro-3-(heptacosanoylamino)-4,5-dihydroxydocosyl]-D-galactitol
Synonyms  Source
fluorinated α-C-GalCerChEBI
AA2ChEBI
Citations