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Substance Name: Coalpha-(alpha-5,6-dimethylbenzimidazolyl)-cobeta-cyanocobamide
RN: 143481-69-0
InChIKey: JEVAYNOWXAJMQA-UHFFFAOYSA-L

Note

  • Isolated from Salmonella typhimurium.

Molecular Weight

  • 1301.31
 
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Names and Synonyms

Name of Substance

  • Coalpha-(alpha-5,6-dimethylbenzimidazolyl)-cobeta-cyanocobamide

Synonym

  • Co-DMB-Co

Registry Numbers

CAS Registry Number

  • 143481-69-0

System Generated Number

  • 0143481690

Structure Descriptors

InChI

1S/C60H86N13O14P.Co/c1-29(86-88(83,84)87-51-39(27-74)85-55(50(51)82)73-28-68-36-12-10-11-13-38(36)73)26-67-47(81)20-21-57(6)35(22-44(64)78)54-60(9)59(8,25-46(66)80)34(16-19-43(63)77)49(72-60)31(3)53-58(7,24-45(65)79)32(14-17-41(61)75)37(69-53)23-40-56(4,5)33(15-18-42(62)76)48(70-40)30(2)52(57)71-54;/h10-13,23,28-29,32-35,39,50-51,54-55,74,82H,14-22,24-27H2,1-9H3,(H15,61,62,63,64,65,66,67,69,70,71,72,75,76,77,78,79,80,81,83,84);/q;+3/p-2

InChIKey

JEVAYNOWXAJMQA-UHFFFAOYSA-L

Smiles

[Co+3].C(C(N)=O)C[C@@H]1[C@@](CC(N)=O)([C@@]2(N=C1C(=C1[C@@]([C@@H](C(=N1)C=C1N=C(C(=C3[C@@](CCC(NC[C@@H](C)OP(O[C@@H]4[C@@H](O)[C@@H](O[C@@H]4CO)n4cnc5c4cccc5)([O-])=O)=O)([C@@H](CC(N)=O)[C@@H]2[N-]3)C)C)[C@@H](C1(C)C)CCC(N)=O)CCC(N)=O)(CC(N)=O)C)C)C)C