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CHEBI:84768 - 3-aminopropyl N-acetyl-6-O-sulfonato-β-D-glucosaminide

ChEBI IDCHEBI:84768
ChEBI Name3-aminopropyl N-acetyl-6-O-sulfonato-β-D-glucosaminide
Stars
ASCII Name3-aminopropyl N-acetyl-6-O-sulfonato-beta-D-glucosaminide
DefinitionThe organosulfate oxoanion that is N-acetylated 6-O-sulfonato-β-D-glucosamine linked glycosidically to a 3-aminopropyl group.
Last Modified12 February 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H21N2O9S
Net Charge-1
Average Mass357.361
Monoisotopic Mass357.09732
SMILESCC(=O)N[C@H]1[C@H](OCCCN)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H22N2O9S/c1-6(14)13-8-10(16)9(15)7(5-21-23(17,18)19)22-11(8)20-4-2-3-12/h7-11,15-16H,2-5,12H2,1H3,(H,13,14)(H,17,18,19)/p-1/t7-,8-,9-,10-,11-/m1/s1
InChIKeyNKBMTWFJKBBURQ-ISUQUUIWSA-M
ChEBI Ontology
Outgoing Relation(s)
3-aminopropyl N-acetyl-6-O-sulfonato-β-D-glucosaminide (CHEBI:84768) is a organosulfate oxoanion (CHEBI:58958)
3-aminopropyl N-acetyl-6-O-sulfonato-β-D-glucosaminide (CHEBI:84768) is conjugate base of 3-aminopropyl N-acetyl-6-O-sulfo-β-D-glucosaminide (CHEBI:84767)
Incoming Relation(s)
3-aminopropyl N-acetyl-6-O-sulfo-β-D-glucosaminide (CHEBI:84767) is conjugate acid of 3-aminopropyl N-acetyl-6-O-sulfonato-β-D-glucosaminide (CHEBI:84768)
IUPAC Name 
3-aminopropyl 2-acetamido-2-deoxy-6-O-sulfonato-β-D-glucopyranoside
Citations