adenosylcob(III)yrinate a,c-diamide(4-)

More details:

• Systematic name

  [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-13,18-bis(2-amino-2-oxo-ethyl)-3,7,12,17-tetrakis(2-carboxylatoethyl)-2-(carboxylatomethyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-yl]cobalt(1+)

• SMILES

  C/C/1=C/2\[C@@]([C@@H](C(=N2)/C=C\3/C([C@@H](C(=N3)/C(=C\4/[C@]([C@H]([C@@H](N4[Co+]C[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)[C@]8([C@@]([C@@H](C1=N8)CCC(=O)[O-])(C)CC(=O)N)C)CC(=O)[O-])(C)CCC(=O)[O-])/C)CCC(=O)[O-])(C)C)CCC(=O)[O-])(C)CC(=O)N

• Std. InChi

  InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-6/t23-,24-,25-,26+,40-,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1

• Std. InChIKey

  OCNLJCZKGHKJGF-NQYRMHKHSA-H

• Cite this record

  CSID:26331207, http://www.chemspider.com/Chemical-Structure.26331207.html (accessed 09:45, May 22, 2024)