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CHEBI:46328 - METHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSE

Default Structure
ChEBI IDCHEBI:46328
ChEBI NameMETHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSE
Stars
DownloadsMolfile
FormulaC34H47N3O18
Net Charge0
Average Mass785.753
Monoisotopic Mass785.28546
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])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(Oc4c([H])c([H])c5c(C([H])([H])[H])c([H])c(=O)oc5c4[H])O[C@]3([H])C([H])([H])O[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/C34H47N3O18/c1-12-7-22(44)50-18-8-16(5-6-17(12)18)49-32-24(36-14(3)42)28(47)30(20(10-39)52-32)55-34-25(37-15(4)43)29(48)31(21(11-40)53-34)54-33-23(35-13(2)41)27(46)26(45)19(9-38)51-33/h5-8,19-21,23-34,38-40,45-48H,9-11H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)/t19-,20-,21-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+/m1/s1
InChIKeyBNYGKUQXGBVTRE-ITRNKESMSA-N
ChEBI Ontology
Outgoing Relation(s)
METHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSE (CHEBI:46328) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-methyl-2-oxo-2H-chromen-7-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-alpha-D-glucopyranosidePDBeChem
METHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSEPDBeChem
Manual XrefsDatabases
UMGPDBeChem