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amikacin(4+)

Go to external page http://purl.obolibrary.org/obo/CHEBI_84739

An organic cation obtained by protonation of the four free amino groups of amikacin; major species at pH 7.3.

Term info

Label

amikacin(4+)

Synonyms
  • (1S,2S,3R,4S,6R)-4-azaniumyl-3-[(6-azaniumyl-6-deoxy-alpha-D-glucopyranosyl)oxy]-6-{[(2S)-4-azaniumyl-2-hydroxybutanoyl]amino}-2-hydroxycyclohexyl 3-azaniumyl-3-deoxy-alpha-D-glucopyranoside
Subsets

3_STAR

IUPAC NAME
(1S,2S,3R,4S,6R)-4-azaniumyl-3-[(6-azaniumyl-6-deoxy-alpha-D-glucopyranosyl)oxy]-6-{[(2S)-4-azaniumyl-2-hydroxybutanoyl]amino}-2-hydroxycyclohexyl 3-azaniumyl-3-deoxy-alpha-D-glucopyranoside [ IUPAC ]

charge

+4

formula

C22H47N5O13

has obo namespace

chebi_ontology

id

CHEBI:84739

inchi

InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/p+4/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1

inchikey

LKCWBDHBTVXHDL-RMDFUYIESA-R

mass

589.63210

monoisotopicmass

589.31484

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]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]1O