CHEBI:65112 - butirosin A

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ChEBI Name butirosin A
ChEBI ID CHEBI:65112
Definition A butirosin that consists of neamine in which is substituted at position 2 by a β-D-xylofuranosyl and at position 4 by an (S)-2-hydroxy-4-aminobutyryl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H41N5O12
Net Charge 0
Average Mass 555.57650
Monoisotopic Mass 555.27517
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)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1
InChIKey XEQLFNPSYWZPOW-SVRMBHBBSA-N
SMILES NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@H]1O
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via butirosin )
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ChEBI Ontology
Outgoing butirosin A (CHEBI:65112) has functional parent neamine (CHEBI:7489)
butirosin A (CHEBI:65112) has role antimicrobial agent (CHEBI:33281)
butirosin A (CHEBI:65112) is a butirosin (CHEBI:65109)
IUPAC Name
(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide
Synonyms Sources
Ambutyrosin A ChEBI
Butyrosin A ChEBI
Manual Xrefs Databases
B31 PDBeChem
C17585 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1696155 Reaxys Registry Number Reaxys
34291-02-6 CAS Registry Number ChemIDplus
Last Modified
28 July 2014