Chemical Component Summary

Nameiron-guanylyl pyridinol cofactor
FormulaC21 H23 Fe N6 O13 P S
Molecular Weight686.323
TypeNON-POLYMER
Isomeric SMILESCC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S
InChIInChI=1S/C19H22N6O10P.2CO.Fe.H2O.H2S/c1-7-9(3-4-26)22-16(29)8(2)14(7)35-36(31,32)33-5-10-12(27)13(28)18(34-10)25-6-21-11-15(25)23-19(20)24-17(11)30;2*1-2;;;/h6,10,12-13,18,27-28H,3,5H2,1-2H3,(H5,20,22,23,24,29,30,31,32);;;;2*1H2/q;2*+1;+5;;/p-3/t10-,12-,13-,18-;;;;;/m1...../s1
InChIKeyAEHOAZNVUAGELD-VPXBKTNXSA-K

Chemical Details

Formal Charge4
Atom Count66
Chiral Atom Count4
Bond Count70
Aromatic Bond Count5