2'-phospho-cyclic ADP-ribose

Chemical Formula:

C₁₅H₁₉N₅O₁₆P₃

Molecular Weight:

618.26 Daltons

Monoisotopic Mass:

622.0352642478999 Daltons

SMILES:

C4(OP([O-])(=O)OP(OCC1(C(O)C(OP([O-])(=O)[O-])C(O1)N2(C=NC3(C2=NC=[N+](C(N)=3)C5(OC4C(O)C(O)5)))))([O-])=O)

InChI:

1S/C15H22N5O16P3/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(33-14)1-31-38(27,28)36-39(29,30)32-2-6-9(22)11(35-37(24,25)26)15(34-6)20(13)3-17-7/h3-6,8-11,14-16,21-23H,1-2H2,(H4,24,25,26,27,28,29,30)/p-3/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1

InChIKey:

FUQPZSKOSARDNY-KEOHHSTQSA-K

Synonyms

cADPRP
cyclic adenosine diphosphate ribose phosphate

Databases

MetaCyc: CPD-15008

PubChem (CID): 71768121

ChEBI: 75970

MetaNetX: MNXM114500

KEGG: C20742