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CHEBI:166880 - (5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-octanamido-N-(4-phenylbutyl)octanamide

ChEBI IDCHEBI:166880
ChEBI Name(5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-octanamido-N-(4-phenylbutyl)octanamide
Stars
ASCII Name(5R,6S,7S)-5,6-dihydroxy-8-(alpha-D-galactosyloxy)-7-octanamido-N-(4-phenylbutyl)octanamide
DefinitionA synthetic α-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(octanoylamino)-8-oxo-8-[(6-phenylbutyl)amino]octyl moiety at O-1.
Last Modified23 November 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC32H56N2O10
Net Charge0
Average Mass628.804
Monoisotopic Mass628.39350
SMILESCCCCCCCC(=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)NCCCCC1=CCCC=C1
InChIInChI=1S/C32H56N2O10/c1-2-3-4-5-9-17-27(38)34-23(21-43-32-31(42)30(41)29(40)25(20-35)44-32)28(39)24(36)16-12-18-26(37)33-19-11-10-15-22-13-7-6-8-14-22/h7,13-14,23-25,28-32,35-36,39-42H,2-6,8-12,15-21H2,1H3,(H,33,37)(H,34,38)/t23-,24+,25+,28-,29-,30-,31+,32-/m0/s1
InChIKeyXZPWJCVCANLKEA-QHBRNFCVSA-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-octanamido-N-(4-phenylbutyl)octanamide (CHEBI:166880) has role epitope (CHEBI:53000)
(5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-octanamido-N-(4-phenylbutyl)octanamide (CHEBI:166880) is a α-galactosylsphingamide (CHEBI:139111)
IUPAC Name 
(5R,6S,7S)-8-(α-D-galactopyranosyloxy)-7-octanamido-5,6-dihydroxy-N-(6-phenylbutyl)octanamide
Synonyms  Source
α-GSA[8,4P]ChEBI
(5R,6S,7S)-5,6-dihydroxy-7-octanamido-8-(α-D-galactosyloxy)-N-(6-phenylbutyl)octanamideChEBI
(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(4-phenylbutyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamideChEBI
Citations