ETH-NAD adduct

Chemical Formula:

C₂₉H₃₃N₈O₁₅P₂

Molecular Weight:

795.572 Daltons

Monoisotopic Mass:

797.1697105165999 Daltons

SMILES:

CCC6(=CC(C(C1(C=C[N+](=CC=1C(N)=O)C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5)))=O)=CC=N6)

InChI:

1S/C29H34N8O15P2/c1-2-14-7-13(3-5-32-14)20(38)15-4-6-36(8-16(15)26(31)43)28-23(41)21(39)17(50-28)9-48-53(44,45)52-54(46,47)49-10-18-22(40)24(42)29(51-18)37-12-35-19-25(30)33-11-34-27(19)37/h3-8,11-12,17-18,21-24,28-29,39-42H,2,9-10H2,1H3,(H5-,30,31,33,34,43,44,45,46,47)/p-1/t17-,18-,21-,22-,23-,24-,28-,29-/m1/s1

InChIKey:

VHRYXUSNKVUYLZ-QEFSYXKZSA-M

Databases

MetaCyc: CPD-19993

PubChem (CID): 129320502