Record Information
Version2.0
StatusDetected and Quantified
Creation Date2021-05-14 19:51:15 UTC
Update Date2025-10-07 16:04:30 UTC
Metabolite IDMMDBc0001652
Metabolite Identification
Common NameN-demethylstreptomycin
DescriptionN-demethylstreptomycin is a member of the aminoglycoside class of antibiotics, characterized by its role as a precursor in the biosynthesis of streptomycin. This compound is formed through the demethylation of streptomycin and serves as a key intermediate in the final step of its biosynthetic pathway, which involves the N-methylation of N-demethylstreptomycin (PMID:4792383 ). While N-demethylstreptomycin has been identified and characterized, there is limited literature detailing its biological activity and pharmacological properties (PMID:4103939 ; PMID:5806322 ; PMID:5700792 ). Further research is necessary to elucidate its potential roles and applications in medicine and microbiology.
Structure
SynonymsNot Available
Molecular FormulaC20H37N7O12
Average Mass567.553
Monoisotopic Mass567.250019659
IUPAC NameN-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine
Traditional NameN-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine
CAS Registry NumberNot Available
SMILES
CC1OC(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)C(OC2OC(CO)C(O)C(O)C2N)C1(O)C=O
InChI Identifier
InChI=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)
InChI KeyJRXYPBHDEAIYID-UHFFFAOYSA-N