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CHEBI:84363 - acarbose(1+)

ChEBI IDCHEBI:84363
ChEBI Nameacarbose(1+)
Stars
DefinitionAn organic cation obtained by protonation of the secondary amino group of acarbose; major species at pH 7.3.
Last Modified22 April 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H44NO18
Net Charge+1
Average Mass646.616
Monoisotopic Mass646.25529
SMILESC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1[NH2+][C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/p+1/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
InChIKeyXUFXOAAUWZOOIT-UGEKTDRHSA-O
ChEBI Ontology
Outgoing Relation(s)
acarbose(1+) (CHEBI:84363) is a ammonium ion derivative (CHEBI:35274)
acarbose(1+) (CHEBI:84363) is a organic cation (CHEBI:25697)
acarbose(1+) (CHEBI:84363) is conjugate acid of acarbose (CHEBI:2376)
Incoming Relation(s)
acarbose (CHEBI:2376) is conjugate base of acarbose(1+) (CHEBI:84363)
IUPAC Name 
4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]azaniumyl}-α-D-glucopyranosyl-(1→4)-α-D-glucopyranosyl-(1→4)-D-glucopyranose
UniProt Name  Source
acarboseUniProt