ETH-NAD-imine adduct

Chemical Formula:

C₂₉H₃₄N₉O₁₄P₂

Molecular Weight:

794.587 Daltons

Monoisotopic Mass:

796.1856949318 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)))=N)=CC=N6)

InChI:

1S/C29H35N9O14P2/c1-2-14-7-13(3-5-33-14)19(30)15-4-6-37(8-16(15)26(32)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)38-12-36-20-25(31)34-11-35-27(20)38/h3-8,11-12,17-18,21-24,28-30,39-42H,2,9-10H2,1H3,(H5-,31,32,34,35,43,44,45,46,47)/p-1/t17-,18-,21-,22-,23-,24-,28-,29-/m1/s1

InChIKey:

NLTLAIGHVDTDHW-QEFSYXKZSA-M

Databases

MetaCyc: CPD-19992

PubChem (CID): 129320317