cobalt(1+);3-[(1R,2S,3S,4Z,7S,8S,9Z,13S,14Z,17R,18R,19R)-2,7,18-tris(2-amino-2-oxo-ethyl)-3-(3-amino-3-oxo-propyl)-17-[3-[[(2R)-2-[[(2R,3S,4R,5S)-5-(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxypropyl]amino]-3-oxo-propyl]-13-(3-imino-3-oxido-propyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,21-hexahydrocorrin-8-yl]propanimidate

More details:

• Systematic name

  cobalt(1+);3-[(1R,2S,3S,4Z,7S,8S,9Z,13S,14Z,17R,18R,19R)-2,7,18-tris(2-amino-2-oxo-ethyl)-3-(3-amino-3-oxo-propyl)-17-[3-[[(2R)-2-[[(2R,3S,4R,5S)-5-(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxypropyl]amino]-3-oxo-propyl]-13-(3-imino-3-oxido-propyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,21-hexahydrocorrin-8-yl]propanimidate

• SMILES

  [Co+].CC1(C)[C@H](CCC(=N)[O-])C2N=C1C=C1N=C(C(C)=C3N[C@@](C)([C@@H]4N=C(C=2C)[C@](C)(CCC(=O)NC[C@@H](C)OP(O)(=O)O[C@@H]2[C@@H](CO)O[C@@H]([C@@H]2O)[N+]2=CNC5C=C(C)C(C)=CC2=5)[C@H]4CC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(=N)[O-] |c:13,18,t:26|

• Std. InChi

  InChI=1S/C62H90N13O14P.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;/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/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1

• Std. InChIKey

  OMAOKVYASDIYQG-DSRCUDDDSA-M

• Cite this record

  CSID:78315861, http://www.chemspider.com/Chemical-Structure.78315861.html (accessed 13:51, Apr 18, 2024)