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CHEBI:65085 - butirosin B(4+)

ChEBI IDCHEBI:65085
ChEBI Namebutirosin B(4+)
Stars
DefinitionAn organic cation obtained by protonation of the four free amino groups of butirosin B; major species at pH 7.3.
Last Modified3 July 2012
SubmitterKAX
DownloadsMolfile
FormulaC21H45N5O12
Net Charge+4
Average Mass559.614
Monoisotopic Mass559.30428
SMILES[NH3+]CC[C@H](O)C(=O)N[C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]2[NH3+])[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H]1O
InChIInChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/p+4/t6-,7+,8-,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21-/m0/s1
InChIKeyXEQLFNPSYWZPOW-HBYCGHPUSA-R
ChEBI Ontology
Outgoing Relation(s)
butirosin B(4+) (CHEBI:65085) has functional parent neamine(4+) (CHEBI:65076)
butirosin B(4+) (CHEBI:65085) is a ammonium ion derivative (CHEBI:35274)
butirosin B(4+) (CHEBI:65085) is a organic cation (CHEBI:25697)
butirosin B(4+) (CHEBI:65085) is conjugate acid of butirosin B (CHEBI:65110)
Incoming Relation(s)
butirosin B (CHEBI:65110) is conjugate base of butirosin B(4+) (CHEBI:65085)
IUPAC Name 
(1R,2R,3S,4R,6S)-6-ammonio-4-{[(2S)-4-ammonio-2-hydroxybutanoyl]amino}-3-hydroxy-2-(β-D-ribofuranosyloxy)cyclohexyl 2,6-diammonio-2,6-dideoxy-α-D-glucopyranoside
UniProt Name  Source
butirosin BUniProt
Citations