molybdopterin adenine dinucleotide

Chemical Formula:

C₂₀H₂₃N₁₀O₁₂P₂S₂

Molecular Weight:

721.529 Daltons

Monoisotopic Mass:

724.0648307518 Daltons

SMILES:

C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OP([O-])(=O)OCC5(O[CH]4(NC6(N=C(NC(=O)C(N[CH]4C(=C5[S-])S)=6)N))))(=O)[O-]

InChI:

1S/C20H26N10O12P2S2/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15/h3-7,10-11,18-19,26,31-32,45-46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33)/p-3/t5-,6-,7+,10-,11-,18-,19-/m1/s1

InChIKey:

XJXFAXLUOKQPAQ-YPRLVJTJSA-K

Synonyms

adenylated molybdopterin
H2Dtpp-mADP
molybdopterin-AMP
adenylyl-molybdopterin

Databases

MetaCyc: CPD-8122

PubChem (CID): 53356704 135926597

ChEBI: 62727

Seed: cpd21090

HMDB: HMDB59628

MetaNetX: MNXM3054

KEGG: C19848