Chemical Compound

alpha-GalCer

CAS Registry Number158021-47-7
alpha-GalCer chemical structure
Primary record

alpha-GalCer

CAS
158021-47-7
PubChem CID
2826713
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
Molecular Formula
C50H99NO9
Molecular Weight
858.34
Exact Mass
857.732
InChI
InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1
InChIKey
VQFKFAKEUMHBLV-BYSUZVQFSA-N
LogP
10.483
TPSA
168.94

Names and synonyms

  • alpha-GalCer
  • KRN7000
  • alpha-Galactosylceramide
  • Krn 7000
  • .alpha.-galcer
  • 158021-47-7
  • Krn-7000
  • -Galactosylceramide
  • a-Gal-Cer
  • |A-Galactosylceramide
  • a-GalCer
  • |A-GalCer
  • alpha-Galactosyl Ceramide
  • ??-Galactosylceramide
  • alpha-GC(C26)
  • |A-Galactosyl Ceramide
  • Alpha Galactosylceramide
  • alpha-GC (C26)
  • -GalCer;KRN7000
  • ?-GALCER
  • AC1MCVU8
  • RefChem:794363
  • CCRIS 8968
  • A-GALACTOSYLCERAMIDE
  • Epitope ID:130694
  • Epitope ID:738312
  • UNII-WX671898JF
  • DTXSID40935847
  • CHEBI:466659
  • alpha-Galacturonosyl ceramide