cyclic ADP-ribose

Chemical Formula:

C₁₅H₂₀N₅O₁₃P₂

Molecular Weight:

540.296 Daltons

Monoisotopic Mass:

542.0689338395 Daltons

SMILES:

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

InChI:

1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27,28)/p-1/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1

InChIKey:

RSEFDAKYCYLNIE-KEOHHSTQSA-M

Synonyms

cADPR
cyclic adenosine diphosphate ribose
N¹-(β-D-ribosyl)adenosine 5'(P1),5''(P2)-cyclic diphosphate

Databases

MetaCyc: CPD-14880

PubChem (CID): 25147432

MetaboLights: MTBLC31445

ChEBI: 31445

KEGG: C13050

ChemSpider: 23106349

Seed: cpd09364

MetaNetX: MNXM94564