Record Information
Version2.0
StatusDetected and Quantified
Creation Date2022-06-17 20:00:08 UTC
Update Date2025-10-07 16:09:13 UTC
Metabolite IDMMDBc0055606
Metabolite Identification
Common Name6-O-adenylylstreptidine
Description6-O-adenylylstreptidine is a nucleoside derivative belonging to the class of adenylyl compounds. There is limited literature available on this metabolite, indicating that it may not be extensively studied or characterized in scientific research.
Structure
SynonymsNot Available
Molecular FormulaC18H31N11O10P
Average Mass592.486
Monoisotopic Mass592.19874966
IUPAC Name9-[(2R,3R,4S,5R)-5-{[({[(1S,2R,3S,4S,5R,6S)-2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl]oxy}(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-9H-purin-6-aminium
Traditional Name9-[(2R,3R,4S,5R)-5-[({[(1S,2R,3S,4S,5R,6S)-2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl]oxy(hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]purin-6-aminium
CAS Registry NumberNot Available
SMILES
[H][C@]1(COP(O)(=O)O[C@]2([H])[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(NC(N)=N)[C@]([H])(O)[C@@]2([H])NC(N)=N)O[C@@]([H])(N2C=NC3=C([NH3+])N=CN=C23)[C@]([H])(O)[C@]1([H])O
InChI Identifier
InChI=1S/C18H30N11O10P/c19-14-7-15(25-2-24-14)29(3-26-7)16-12(34)8(30)4(38-16)1-37-40(35,36)39-13-6(28-18(22)23)9(31)5(27-17(20)21)10(32)11(13)33/h2-6,8-13,16,30-34H,1H2,(H,35,36)(H2,19,24,25)(H4,20,21,27)(H4,22,23,28)/p+1/t4-,5+,6-,8-,9+,10-,11+,12-,13+,16-/m1/s1
InChI KeyHNYZZTVCUNXAIP-BKCFTUSJSA-O