cobaltous;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]ethyl] hydrogen phosphate;cyanide

More details:

• Systematic name

  cobaltous;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]ethyl] hydrogen phosphate;cyanide

• SMILES

  [Co+2].[C-]#N.O=C(N)C[C@@]8(C=1\N=C(\C=C7/N=C(/C(=C3\[N-][C@@H]([C@@]2(/N=C(/C=1C)[C@@H](CCC(=O)N)[C@@]2(CC(=O)N)C)C)[C@H](CC(=O)N)[C@@]3(C)CCC(=O)NCC(OP(=O)(O)O[C@@H]6[C@H](O[C@H](n5cnc4cc(c(cc45)C)C)[C@@H]6O)CO)C)C)[C@@H](CCC(=O)N)C7(C)C)[C@H]8CCC(=O)N)C

• Std. InChi

  InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+2/p-1/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1

• Std. InChIKey

  AGVAZMGAQJOSFJ-WYVZQNDMSA-M

• Cite this record

  CSID:9182932, http://www.chemspider.com/Chemical-Structure.9182932.html (accessed 13:38, Apr 16, 2024)