5'-Benzoylphosphoadenosine

Molecular Formula: C17H18N5O8P


InChI: InChI=1/C17H18N5O8P/c18-14-11-15(20-7-19-14)22(8-21-11)16-13(24)12(23)10(29-16)6-28-31(26,27)30-17(25)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,23-24H,6H2,(H,26,27)(H2,18,19,20)/t10-,12-,13-,16-/m1/s1/f/h26H,18H2

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

Names:
    C06433
    5'-Benzoylphosphoadenosine
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-benzoyloxy-phosphinic acid

Registries:
    PubChem CID 441016
    PubChem ID 8667