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CHEBI:40530 - MODIFIED ACARBOSE HEXASACCHARIDE

Default Structure
ChEBI IDCHEBI:40530
ChEBI NameMODIFIED ACARBOSE HEXASACCHARIDE
Stars
DownloadsMolfile
FormulaC37H63NO26
Net Charge0
Average Mass937.892
Monoisotopic Mass937.36383
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])[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])O[H])[C@@]([H])(O[C@@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
InChIInChI=1S/C37H63NO26/c1-8-15(18(44)25(51)34(57-8)63-31-13(6-40)59-36(27(53)22(31)48)61-29-10(3)56-33(55)24(50)21(29)47)38-12-4-11(5-39)30(20(46)17(12)43)62-37-28(54)23(49)32(14(7-41)60-37)64-35-26(52)19(45)16(42)9(2)58-35/h4,8-10,12-55H,5-7H2,1-3H3/t8-,9-,10-,12+,13-,14-,15-,16-,17+,18+,19+,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-/m1/s1
InChIKeyYXELUDMUQSCWQW-HCVSURSQSA-N
ChEBI Ontology
Outgoing Relation(s)
MODIFIED ACARBOSE HEXASACCHARIDE (CHEBI:40530) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(6-deoxy-alpha-D-glucopyranosyl)-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)-6-deoxy-beta-D-glucopyranosePDBeChem
MODIFIED ACARBOSE HEXASACCHARIDEPDBeChem
Manual XrefsDatabases
ABCPDBeChem