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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-octanamido-N-(4-phenylbutyl)octanamide
ChEBI ID CHEBI:166880
ChEBI ASCII Name (5R,6S,7S)-5,6-dihydroxy-8-(alpha-D-galactosyloxy)-7-octanamido-N-(4-phenylbutyl)octanamide
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H56N2O10
Net Charge 0
Average Mass 628.804
Monoisotopic Mass 628.39350
InChI InChI=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
InChIKey XZPWJCVCANLKEA-QHBRNFCVSA-N
SMILES CCCCCCCC(=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
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Sources
(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}octanamide ChEBI
(5R,6S,7S)-5,6-dihydroxy-7-octanamido-8-(α-D-galactosyloxy)-N-(6-phenylbutyl)octanamide ChEBI
α-GSA[8,4P] ChEBI
Citation Waiting for Citations Type Source
31391251 PubMed citation Europe PMC
Last Modified
23 November 2020