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CHEBI:198263 - N-demethylstreptomycin

ChEBI IDCHEBI:198263
ChEBI NameN-demethylstreptomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H37N7O12
Net Charge0
Average Mass567.553
Monoisotopic Mass567.25002
SMILESCC1OC(OC2C(O)C(O)C(N=C(N)N)C(O)C2N=C(N)N)C(OC2OC(CO)C(O)C(O)C2N)C1(O)C=O
InChIInChI=1S/C20H37N7O12/c1-4-20(35,3-29)15(39-16-6(21)10(31)9(30)5(2-28)37-16)17(36-4)38-14-8(27-19(24)25)11(32)7(26-18(22)23)12(33)13(14)34/h3-17,28,30-35H,2,21H2,1H3,(H4,22,23,26)(H4,24,25,27)
InChIKeyJRXYPBHDEAIYID-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - DOI (10.3891/acta.chem.scand.22-1649)
ChEBI Ontology
Outgoing Relation(s)
N-demethylstreptomycin (CHEBI:198263) is a amino cyclitol (CHEBI:61689)
N-demethylstreptomycin (CHEBI:198263) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[2-[3-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-ormyl-4-hydroxy-5-methyloxolan-2-yl]oxy-5-(diaminomethylideneamino)-3,4,6-trihydroxycyclohexyl]guanidine
Manual XrefsDatabases
23238172ChemSpider