CHEBI:144314 - α-C(F)-GalCer

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ChEBI Name α-C(F)-GalCer ChEBI ID CHEBI:144314 ChEBI ASCII Name alpha-C(F)-GalCer Definition A neoglycosphingolipid that is fluorinated α-C-GalCer, a synthesized C-clycosyl analogue of myelin-derived galactosylceramide (Mye-GalCer). Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C55H108FNO8 Net Charge 0 Average Mass 930.466 Monoisotopic Mass 929.80590 InChI InChI=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 InChIKey XAIBDKMMUMGKEE-SLZKIMTDSA-N SMILES [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)F ChEBI Ontology Outgoing 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 Sources AA2 ChEBI fluorinated α-C-GalCer ChEBI Citation Type Source 30941120 PubMed citation Europe PMC Last Modified 23 July 2019