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CHEBI:40522 - MODIFIED ACARBOSE PENTASACCHARIDE

Default Structure
ChEBI IDCHEBI:40522
ChEBI NameMODIFIED ACARBOSE PENTASACCHARIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC31H53NO22
Net Charge0
Average Mass791.750
Monoisotopic Mass791.30592
SMILES[H]OC([H])([H])C1=C([H])[C@]([H])(N([H])[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[C@@]1([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
InChIInChI=1S/C31H53NO22/c1-7-13(32-10-3-9(4-33)25(18(40)15(10)37)52-30-23(45)17(39)14(36)8(2)49-30)16(38)22(44)29(48-7)53-27-12(6-35)51-31(24(46)20(27)42)54-26-11(5-34)50-28(47)21(43)19(26)41/h3,7-8,10-47H,4-6H2,1-2H3/t7-,8-,10+,11-,12-,13-,14-,15+,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1
InChIKeyQWNATFSCUHKKDP-WYKVUHPSSA-N
ChEBI Ontology
Outgoing Relation(s)
MODIFIED ACARBOSE PENTASACCHARIDE (CHEBI:40522) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(6-deoxy-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosePDBeChem
MODIFIED ACARBOSE PENTASACCHARIDEPDBeChem
Manual XrefsDatabases
ACGPDBeChem