3-hydroxyquinaldate adenylate
Chemical Formula:
C20H18N6O9P
Molecular Weight:
517.371 Daltons
Monoisotopic Mass:
518.0951127500001 Daltons
SMILES:
C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(=O)C4(C(O)=CC5(C=CC=CC(N=4)=5)))([O-])=O
InChI:
1S/C20H19N6O9P/c21-17-14-18(23-7-22-17)26(8-24-14)19-16(29)15(28)12(34-19)6-33-36(31,32)35-20(30)13-11(27)5-9-3-1-2-4-10(9)25-13/h1-5,7-8,12,15-16,19,27-29H,6H2,(H,31,32)(H2,21,22,23)/p-1/t12-,15-,16-,19-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-18559
PubChem (CID):
102515039
MetaNetX:
MNXM164241