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CHEBI:39783 - 3-N-OCTANOYLSUCROSE

Default Structure
ChEBI IDCHEBI:39783
ChEBI Name3-N-OCTANOYLSUCROSE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC20H36O12
Net Charge0
Average Mass468.496
Monoisotopic Mass468.22068
SMILES[H]OC([H])([H])[C@@]1(O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]2([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(24)30-17-14(25)11(8-21)29-19(16(17)27)32-20(10-23)18(28)15(26)12(9-22)31-20/h11-12,14-19,21-23,25-28H,2-10H2,1H3/t11-,12-,14-,15-,16-,17+,18+,19-,20+/m1/s1
InChIKeyNMVDZWILYFXVBZ-PQJCEUABSA-N
ChEBI Ontology
Outgoing Relation(s)
3-N-OCTANOYLSUCROSE (CHEBI:39783) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-N-OCTANOYLSUCROSEPDBeChem
beta-D-fructofuranosyl 3-O-octanoyl-alpha-D-glucopyranosidePDBeChem
Manual XrefsDatabases
2OSPDBeChem