acetic acid;cobalt;[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[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-24-id-3-yl]propanoylamino]ethyl] phosphate

More details:

• Systematic name

  acetic acid;cobalt;[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[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-24-id-3-yl]propanoylamino]ethyl] phosphate

• SMILES

  [Co].CC1(C)C(CCC(N)=O)C2N=C1C=C1N=C(C(C)=C3[N-]C(C)(C4N=C(C=2C)C(C)(CCC(=O)NCC(C)OP([O-])(=O)OC2C(CO)OC(C2O)N2C=NC5C=C(C)C(C)=CC2=5)C4CC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(CC(N)=O)C1CCC(N)=O.CC(O)=O

• Std. InChi

  InChI=1S/C62H90N13O14P.C2H4O2.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(3)4;/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);1H3,(H,3,4);/p-2

• Std. InChIKey

  JEINOAHBVLNVDD-UHFFFAOYSA-L

• Cite this record

  CSID:78432633, http://www.chemspider.com/Chemical-Structure.78432633.html (accessed 07:13, Apr 27, 2024)