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CHEBI:139106 - (5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-octanamido-N-(6-phenylhexyl)octanamide

Default Structure
ChEBI IDCHEBI:139106
ChEBI Name(5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-octanamido-N-(6-phenylhexyl)octanamide
Stars
ASCII Name(5R,6S,7S)-5,6-dihydroxy-8-(alpha-D-galactosyloxy)-7-octanamido-N-(6-phenylhexyl)octanamide
DefinitionA synthetic α-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(octanoylamino)-8-oxo-8-[(6-phenylhexyl)amino]octyl moiety at O-1.
Last Modified21 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC34H58N2O10
Net Charge0
Average Mass654.842
Monoisotopic Mass654.40915
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)NCCCCCCc1ccccc1
InChIInChI=1S/C34H58N2O10/c1-2-3-4-5-12-19-29(40)36-25(23-45-34-33(44)32(43)31(42)27(22-37)46-34)30(41)26(38)18-14-20-28(39)35-21-13-7-6-9-15-24-16-10-8-11-17-24/h8,10-11,16-17,25-27,30-34,37-38,41-44H,2-7,9,12-15,18-23H2,1H3,(H,35,39)(H,36,40)/t25-,26+,27+,30-,31-,32-,33+,34-/m0/s1
InChIKeyGAPCJLRKOKSZTA-RMRXMYJTSA-N
ChEBI Ontology
Outgoing Relation(s)
(5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-octanamido-N-(6-phenylhexyl)octanamide (CHEBI:139106) is a α-galactosylsphingamide (CHEBI:139111)
IUPAC Name 
(5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactopyranosyloxy)-7-(octanoylamino)-N-(6-phenylhexyl)octanamide
Synonyms  Source
(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-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-(6-phenylhexyl)octanamideChEBI
Manual XrefsDatabases
7LPPDBeChem
WO2017083830Patent
Registry NumbersSources
Reaxys:31280473Reaxys
Citations