(2,3-dihydroxybenzoyl)adenylate

Molecular Formula: C₁₇H₁₈N₅O₁₀P

InChI: InChI=1/C17H18N5O10P/c18-14-10-15(20-5-19-14)22(6-21-10)16-13(26)12(25)9(31-16)4-30-33(28,29)32-17(27)7-2-1-3-8(23)11(7)24/h1-3,5-6,9,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)/t9-,12-,13-,16-/m1/s1/f/h28H,18H2

InChIKey: InChIKey=ULPVJDOMCRTJSN-NLGYBZPSDA
SMILES: C1=CC(=C(C(=C1)O)O)C(=O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Names:
    C04030
    (2,3-dihydroxybenzoyl)adenylate
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-(2,3-dihydroxybenzoyl)oxy-phosphinic acid

Registries:
    PubChem CID 440201
    PubChem ID 6734