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CHEBI:42956 - 4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE

Default Structure
ChEBI IDCHEBI:42956
ChEBI Name4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE
Stars
DownloadsMolfile
FormulaC26H34N2O13
Net Charge0
Average Mass582.559
Monoisotopic Mass582.20609
SMILES[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(Oc3c([H])c([H])c4c(C([H])([H])[H])c([H])c(=O)oc4c3[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C26H34N2O13/c1-10-6-18(33)38-15-7-13(4-5-14(10)15)37-25-20(28-12(3)32)23(36)24(17(9-30)40-25)41-26-19(27-11(2)31)22(35)21(34)16(8-29)39-26/h4-7,16-17,19-26,29-30,34-36H,8-9H2,1-3H3,(H,27,31)(H,28,32)/t16-,17-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1
InChIKeyUPSFMJHZUCSEHU-JYGUBCOQSA-N
ChEBI Ontology
Outgoing Relation(s)
4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE (CHEBI:42956) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-methyl-2-oxo-2H-chromen-7-yl 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranosidePDBeChem
4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSEPDBeChem
Manual XrefsDatabases
GUMPDBeChem