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CHEBI:166871 - (5R,6S,7S)-7-dodecanamido-8-(α-D-galactosyloxy)-5,6-dihydroxy-N-(6-phenylhexyl)octanamide

ChEBI IDCHEBI:166871
ChEBI Name(5R,6S,7S)-7-dodecanamido-8-(α-D-galactosyloxy)-5,6-dihydroxy-N-(6-phenylhexyl)octanamide
Stars
ASCII Name(5R,6S,7S)-7-dodecanamido-8-(alpha-D-galactosyloxy)-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-(dodecanoylamino)-8-oxo-8-[(6-phenylhexyl)amino]octyl moiety at O-1.
Last Modified24 November 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC38H66N2O10
Net Charge0
Average Mass710.950
Monoisotopic Mass710.47175
SMILESCCCCCCCCCCCC(=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/C38H66N2O10/c1-2-3-4-5-6-7-8-9-16-23-33(44)40-29(27-49-38-37(48)36(47)35(46)31(26-41)50-38)34(45)30(42)22-18-24-32(43)39-25-17-11-10-13-19-28-20-14-12-15-21-28/h12,14-15,20-21,29-31,34-38,41-42,45-48H,2-11,13,16-19,22-27H2,1H3,(H,39,43)(H,40,44)/t29-,30+,31+,34-,35-,36-,37+,38-/m0/s1
InChIKeyIUMALAAYPYPBAP-RYYFEHCXSA-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)-7-dodecanamido-8-(α-D-galactosyloxy)-5,6-dihydroxy-N-(6-phenylhexyl)octanamide (CHEBI:166871) has role epitope (CHEBI:53000)
(5R,6S,7S)-7-dodecanamido-8-(α-D-galactosyloxy)-5,6-dihydroxy-N-(6-phenylhexyl)octanamide (CHEBI:166871) is a α-galactosylsphingamide (CHEBI:139111)
IUPAC Name 
(5R,6S,7S)-7-dodecanamido-8-(α-D-galactopyranosyloxy)-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]dodecanamidePDBeChem
α-GSA[12,6P]PDBeChem
(5R,6S,7S)-5,6-dihydroxy-7-dodecanamido-8-(α-D-galactosyloxy)-N-(6-phenylhexyl)octanamideChEBI
Manual XrefsDatabases
ELMPDBeChem
Citations