CHEBI:225205 - 4'-deoxybutirosin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4'-deoxybutirosin B
ChEBI ID CHEBI:225205
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H41N5O11
Net Charge 0
Average Mass 539.583
Monoisotopic Mass 539.28026
InChI InChI=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
InChIKey QFLJXVOAZAHLEX-LXYUSJPUSA-N
SMILES O=C(N[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H]([C@@H]2O)O)[C@@H](O)[C@H](O[C@H]3O[C@H](C[C@H]([C@H]3N)O)CN)[C@H](C1)N)[C@@H](O)CCN
Metabolite of Species Details
Bacillus (NCBI:txid1386) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78443303 ChemSpider
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