cobaltous;3-[(1R,2S,3S,4Z,7S,11S,17R,18R,19R)-8,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,11,12,15,17-octamethyl-10,15,18,19-tetrahydro-3H-corrin-21-id-3-yl]propanoic acid

More details:

• Systematic name

  cobaltous;3-[(1R,2S,3S,4Z,7S,11S,17R,18R,19R)-8,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,11,12,15,17-octamethyl-10,15,18,19-tetrahydro-3H-corrin-21-id-3-yl]propanoic acid

• SMILES

  CC1C2=N[C@@](CC3=C([C@](C(=N3)/C(=C\4/[C@H]([C@]([C@@]([N-]4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)/C)(C)CC(=O)O)CCC(=O)O)(C(=C2CCC(=O)O)C)C.[Co+2]

• Std. InChi

  InChI=1S/C45H60N4O14.Co/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57;/h21,26-27,40H,9-20H2,1-8H3,(H8,46,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1/t21?,26-,27+,40-,41-,42+,43+,44+,45+;/m1./s1

• Std. InChIKey

  DPVDDBUQBNNVPO-WTEINHRPSA-M

• Cite this record

  CSID:10128253, http://www.chemspider.com/Chemical-Structure.10128253.html (accessed 18:34, May 21, 2024)