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CHEBI:31233 - arbekacin sulfate

ChEBI IDCHEBI:31233
ChEBI Namearbekacin sulfate
Stars
Last Modified5 April 2007
DownloadsMolfile
FormulaC22H44N6O10.H2O4S
Net Charge0
Average Mass650.705
Monoisotopic Mass650.27927
SMILESNCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O.O=S(=O)(O)O
InChIInChI=1S/C22H44N6O10.H2O4S/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22;1-5(2,3)4/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34);(H2,1,2,3,4)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+;/m0./s1
InChIKeyUTUVRPOLEMRKQC-XDJMXTNXSA-N
ChEBI Ontology
Outgoing Relation(s)
arbekacin sulfate (CHEBI:31233) has functional parent arbekacin (CHEBI:37922)
arbekacin sulfate (CHEBI:31233) is a aminoglycoside sulfate salt (CHEBI:38012)
IUPAC Name 
(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-α-D-glucopyranosyloxy)-4-(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide sulfate
Synonyms  Source
HabekacinKEGG DRUG
Arbekacin sulfateKEGG DRUG
D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-N'-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, sulfate (salt)ChemIDplus
Manual XrefsDatabases
D01523KEGG DRUG
Registry NumbersSources
CAS:104931-87-5KEGG DRUG
CAS:104931-87-5ChemIDplus