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butirosin B

Properties

Image

Occurences in reactions

MNX_ID

MNXM10838

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₁H₄₅N₅O₁₂

charge

mass

559.30428

reference

chebi:65085

InChIKey

XEQLFNPSYWZPOW-HBYCGHPUSA-R

InChI

InChI=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

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65085 chebi:65085	butirosin B (1R,2R,3S,4R,6S)-6-ammonio-4-{[(2S)-4-ammonio-2-hydroxybutanoyl]amino}-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diammonio-2,6-dideoxy-alpha-D-glucopyranoside butirosin B(4+)
kegg.compound:C17586 keggC:C17586	Butirosin B
seed.compound:cpd17707 seedM:cpd17707	Butirosin B butirosin B
metacyc.compound:CPD-14193 metacycM:CPD-14193	butirosin B
CHEBI:65110 chebi:65110	butirosin B (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-ribofuranosyloxy)cyclohexyl]-2-hydroxybutanamide Ambutyrosin B Butyrosin B
keggC:M_C17586 seedM:M_cpd17707	secondary/obsolete/fantasy identifier