EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65112 - butirosin A

ChEBI IDCHEBI:65112
ChEBI Namebutirosin A
Stars
DefinitionA 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.
Last Modified28 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC21H41N5O12
Net Charge0
Average Mass555.582
Monoisotopic Mass555.27517
SMILESNCC[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
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)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1
InChIKeyXEQLFNPSYWZPOW-SVRMBHBBSA-N
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Ambutyrosin AChEBI
Butyrosin AChEBI
Manual XrefsDatabases
B31PDBeChem
C17585KEGG COMPOUND
Registry NumbersSources
Reaxys:1696155Reaxys
CAS:34291-02-6ChemIDplus
CAS:34291-02-6KEGG COMPOUND