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CHEBI:225205 - 4'-deoxybutirosin B

ChEBI IDCHEBI:225205
ChEBI Name4'-deoxybutirosin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H41N5O11
Net Charge0
Average Mass539.583
Monoisotopic Mass539.28026
SMILESNCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@@H](CN)C[C@@H](O)[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C21H41N5O11/c22-2-1-10(28)19(33)26-9-4-8(24)17(36-20-13(25)11(29)3-7(5-23)34-20)16(32)18(9)37-21-15(31)14(30)12(6-27)35-21/h7-18,20-21,27-32H,1-6,22-25H2,(H,26,33)/t7-,8+,9-,10+,11-,12-,13-,14+,15+,16+,17-,18+,20-,21-/m1/s1
InChIKeyQFLJXVOAZAHLEX-LXYUSJPUSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (4211790)
ChEBI Ontology
Outgoing Relation(s)
4'-deoxybutirosin B (CHEBI:225205) is a 2-deoxystreptamine derivative (CHEBI:61800)
IUPAC Name 
(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4R,6R)-3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy-2-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
Manual XrefsDatabases
78443303ChemSpider