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CHEBI:166879 - (5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-hexacosanamido-N-(6-phenylhexyl)octanamide

ChEBI IDCHEBI:166879
ChEBI Name(5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-hexacosanamido-N-(6-phenylhexyl)octanamide
Stars
ASCII Name(5R,6S,7S)-5,6-dihydroxy-8-(alpha-D-galactosyloxy)-7-hexacosanamido-N-(6-phenylhexyl)octanamide
DefinitionA synthetic α-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(hexacosanoylamino)-8-oxo-8-[(6-phenylhexyl)amino]octyl moiety at O-1.
Last Modified20 November 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC52H94N2O10
Net Charge0
Average Mass907.328
Monoisotopic Mass906.69085
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NCCCCCCc1ccccc1
InChIInChI=1S/C52H94N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-37-47(58)54-43(41-63-52-51(62)50(61)49(60)45(40-55)64-52)48(59)44(56)36-32-38-46(57)53-39-31-25-24-27-33-42-34-28-26-29-35-42/h26,28-29,34-35,43-45,48-52,55-56,59-62H,2-25,27,30-33,36-41H2,1H3,(H,53,57)(H,54,58)/t43-,44+,45+,48-,49-,50-,51+,52-/m0/s1
InChIKeyCDZMLEFFZGLIAZ-PWIBDSRESA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
(5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-hexacosanamido-N-(6-phenylhexyl)octanamide (CHEBI:166879) has role epitope (CHEBI:53000)
(5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-hexacosanamido-N-(6-phenylhexyl)octanamide (CHEBI:166879) is a α-galactosylsphingamide (CHEBI:139111)
IUPAC Name 
(5R,6S,7S)-8-(α-D-galactopyranosyloxy)-7-hexacosanamido-5,6-dihydroxy-N-(6-phenylhexyl)octanamide
Synonyms  Source
N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamidePDBeChem
α-GSA[26,6P]ChEBI
(5R,6S,7S)-5,6-dihydroxy-7-hexacosanamido-8-(α-D-galactosyloxy)-N-(6-phenylhexyl)octanamideChEBI
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