Adenomycin
Molecular Formula:
C25H39N7O18S
InChI: InChI=1/C25H39N7O18S/c26-6(1-33)24(41)48-20-18(45-3-8-12(36)14(38)23(46-8)32-5-31-10-21(28)29-4-30-22(10)32)15(39)17(16(40)19(20)50-51(42,43)44)49-25-9(27)13(37)11(35)7(2-34)47-25/h4-9,11-20,23,25,33-40H,1-3,26-27H2,(H2,28,29,30)(H,42,43,44)/t6-,7u,8u,9?,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?,23?,25?/m1/s1/f/h42H,28H2
InChIKey: InChIKey=UXRHCHSWRDOIED-PUPVPZSODK
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COC4C(C(C(C(C4OC(=O)C(CO)N)OS(=O)(=O)O)O)OC5C(C(C(C(O5)CO)O)O)N)O)O)O
Names:
Adenomycin
NSC336242
6-amino-9-[5-[[5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R)-2-amino-3-hydroxy-propanoyl]oxy-4,6-dihydroxy-3-sulfooxy-cyclohexyl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]purine
Registries:
PubChem CID 333634
PubChem ID 8141285
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