cytidylyl molybdenum cofactor

Chemical Formula:

C₁₉H₂₂N₈O₁₅P₂S₂MO

Molecular Weight:

824.435 Daltons

Monoisotopic Mass:

827.9331843435 Daltons

SMILES:

C(C2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))OP([O-])(=O)OP([O-])(=O)OCC4(O[CH]3(NC6(N=C(NC(=O)C(N[CH]3C5(=C4S[Mo](=O)(=O)S5))=6)N)))

InChI:

1S/C19H26N8O13P2S2.Mo.2O/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14;;;/h1-2,5-6,8,10-11,16-17,23,28-29,43-44H,3-4H2,(H,32,33)(H,34,35)(H2,20,22,31)(H4,21,24,25,26,30);;;/q;+2;;/p-4/t5-,6-,8+,10-,11-,16-,17-;;;/m1.../s1

InChIKey:

KGCKMLSJAXDKBP-RRNIHQQDSA-J

Synonyms

MCD
MoO₂(OH)Dtpp-mCDP
MoO₂-molybdopterin cytosine dinucleotide
Mo-molybdopterin cytosine dinucleotide

Databases

MetaCyc: CPD0-1882

ChEBI: 71308

PubChem (CID): 46173482 135915294

MetaNetX: MNXM8479

KEGG: C21485