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CHEBI:139112 - (5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-octanamido-N-(8-phenyloctyl)octanamide

Default Structure
ChEBI IDCHEBI:139112
ChEBI Name(5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-octanamido-N-(8-phenyloctyl)octanamide
Stars
ASCII Name(5R,6S,7S)-5,6-dihydroxy-8-(alpha-D-galactosyloxy)-7-octanamido-N-(8-phenyloctyl)octanamide
DefinitionA synthetic α-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(octanoylamino)-8-oxo-8-[(8-phenyloctyl)amino]octyl moiety at O-1.
Last Modified21 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC36H62N2O10
Net Charge0
Average Mass682.896
Monoisotopic Mass682.44045
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)NCCCCCCCCc1ccccc1
InChIInChI=1S/C36H62N2O10/c1-2-3-4-7-14-21-31(42)38-27(25-47-36-35(46)34(45)33(44)29(24-39)48-36)32(43)28(40)20-16-22-30(41)37-23-15-9-6-5-8-11-17-26-18-12-10-13-19-26/h10,12-13,18-19,27-29,32-36,39-40,43-46H,2-9,11,14-17,20-25H2,1H3,(H,37,41)(H,38,42)/t27-,28+,29+,32-,33-,34-,35+,36-/m0/s1
InChIKeyYXTGPCVEWLUAKA-JGTBCGKBSA-N
ChEBI Ontology
Outgoing Relation(s)
(5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-octanamido-N-(8-phenyloctyl)octanamide (CHEBI:139112) is a α-galactosylsphingamide (CHEBI:139111)
IUPAC Name 
(5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactopyranosyloxy)-7-(octanoylamino)-N-(6-phenyloctyl)octanamide
Synonyms  Source
(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(8-phenyloctyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamideIUPAC
(5R,6S,7S)-5,6-dihydroxy-8-O-(α-D-galactopyranosyl)-7-octanamido-N-(8-phenyloctyl)octanamideChEBI
N-((2S,3S,4R)-1-O-(α-D-galactopyranosyl)-3,4-dihydroxy-16-phenylhexadecan-2-yl)octanamideChEBI
Manual XrefsDatabases
WO201783830Patent
Registry NumbersSources
Reaxys:31280482Reaxys
Citations