2''-O-acetyl-ADP-ribose
Chemical Formula:
C17H23N5O15P2
Molecular Weight:
599.341 Daltons
Monoisotopic Mass:
601.08223818 Daltons
SMILES:
CC(OC1(C(OC(C(O)1)COP(=O)([O-])OP([O-])(=O)OCC2(OC(C(O)C2O)N4(C3(=C(C(=NC=N3)N)N=C4))))O))=O
InChI:
1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/p-2/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14762
ChEBI:
83767
PubChem (CID):
86290135
Seed:
cpd28998
MetaNetX:
MNXM20011
KEGG:
C20658