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CHEBI:166884 - (5R,6S,7S)-8-(α-D-galactosyloxy)-7-hexadecanamido-5,6-dihydroxy-N-(6-phenylhexyl)octanamide

ChEBI IDCHEBI:166884
ChEBI Name(5R,6S,7S)-8-(α-D-galactosyloxy)-7-hexadecanamido-5,6-dihydroxy-N-(6-phenylhexyl)octanamide
Stars
ASCII Name(5R,6S,7S)-8-(alpha-D-galactosyloxy)-7-hexadecanamido-5,6-dihydroxy-N-(6-phenylhexyl)octanamide
DefinitionA synthetic α-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(hexadecanoylamino)-8-oxo-8-[(6-phenylhexyl)amino]octyl moiety at O-1
Last Modified24 November 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H74N2O10
Net Charge0
Average Mass767.058
Monoisotopic Mass766.53435
SMILESCCCCCCCCCCCCCCCC(=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/C42H74N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-37(48)44-33(31-53-42-41(52)40(51)39(50)35(30-45)54-42)38(49)34(46)26-22-28-36(47)43-29-21-15-14-17-23-32-24-18-16-19-25-32/h16,18-19,24-25,33-35,38-42,45-46,49-52H,2-15,17,20-23,26-31H2,1H3,(H,43,47)(H,44,48)/t33-,34+,35+,38-,39-,40-,41+,42-/m0/s1
InChIKeySITXHTZUBKGTAF-MYIIVRAESA-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)-8-(α-D-galactosyloxy)-7-hexadecanamido-5,6-dihydroxy-N-(6-phenylhexyl)octanamide (CHEBI:166884) has role epitope (CHEBI:53000)
(5R,6S,7S)-8-(α-D-galactosyloxy)-7-hexadecanamido-5,6-dihydroxy-N-(6-phenylhexyl)octanamide (CHEBI:166884) is a α-galactosylsphingamide (CHEBI:139111)
IUPAC Name 
(5R,6S,7S)-8-(α-D-galactopyranosyloxy)-7-hexadecanamido-5,6-dihydroxy-N-(6-phenylhexyl)octanamide
Synonyms  Source
(5R,6S,7S)-5,6-dihydroxy-7-hexadecanamido-8-(α-D-galactosyloxy)-N-(6-phenylhexyl)octanamideChEBI
α-GSA[16,6P]PDBeChem
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]hexadecanamidePDBeChem
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)oxan-2-yl]oxy}octan-2-yl]hexadecanamideIUPAC
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]hexadecanamidePDBeChem
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Citations