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arbekacin

Properties

Image

Occurences in reactions

MNX_ID

MNXM102801

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₂H₄₄N₆O₁₀

charge

mass

552.31189

reference

chebi:37922

InChIKey

MKKYBZZTJQGVCD-XTCKQBCOSA-N

InChI

InChI=1S/C22H44N6O10/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/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1

SMILES

NCC[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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:37922 chebi:37922	arbekacin (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide ABK
kegg.drug:D07462 keggD:D07462	Arbekacin (INN)
hmdb:HMDB0015642	Arbekacin (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-{[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide 1-N-((S)-4-Amino-2-hydroxybutyryl)dibekacin 4-Amino-2-hydroxybutylyldibekacin ABK Arbekacin sulfate Arbekacina Arbekacine Arbekacinum Habekacin Haberacin arbekacin
metacyc.compound:CPD-14162 metacycM:CPD-14162 seed.compound:cpd24207 seedM:cpd24207	arbekacin
hmdb:HMDB15642 keggD:M_D07462 seedM:M_cpd24207	secondary/obsolete/fantasy identifier