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CHEBI:217902 - Rhodostreptomycin B

ChEBI IDCHEBI:217902
ChEBI NameRhodostreptomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H40N8O13
Net Charge0
Average Mass624.605
Monoisotopic Mass624.27148
SMILESCN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@H](C)[C@@]23OC(=O)N[C@@H]3O)O[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C22H40N8O13/c1-4-22(18(37)30-21(38)43-22)15(42-16-8(27-2)12(35)9(32)5(3-31)40-16)17(39-4)41-14-7(29-20(25)26)10(33)6(28-19(23)24)11(34)13(14)36/h4-18,27,31-37H,3H2,1-2H3,(H,30,38)(H4,23,24,28)(H4,25,26,29)/t4-,5+,6-,7+,8+,9+,10-,11+,12+,13-,14-,15+,16+,17+,18-,22-/m1/s1
InChIKeyDGVZNVLARKDWED-SWFKCVFYSA-N
Species of MetaboliteComponentSourceComments
Rhodococcus fascians (ncbitaxon:1828) - PubMed (18179219)
ChEBI Ontology
Outgoing Relation(s)
Rhodostreptomycin B (CHEBI:217902) is a amino cyclitol (CHEBI:61689)
Rhodostreptomycin B (CHEBI:217902) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[[(4R,5R,6R,8R,9R)-9-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-methyl-2-oxo-1,7-dioxa-3-azaspiro[4.4]nonan-8-yl]oxy]-2,5,6-trihydroxycyclohexyl]guanidine
Manual XrefsDatabases
78440274ChemSpider