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Substance Name: Glutathionylcobalamin
RN: 129128-04-7
InChIKey: NZRCMFDUKLMQKD-UHFFFAOYSA-K

Note

  • An intermediate in formation of cobalamin coenzymes.

Molecular Formula

  • C72-H104-Co-N16-O20-P-S

Molecular Weight

  • 1635.6786
 
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Names and Synonyms

Name of Substance

  • Glutathionylcobalamin

Synonym

  • Gs-Cbl

Systematic Name

  • Cobinamide, Co-(N-(N-L-gamma-glutamyl-L-cysteinyl)glycine) deriv., hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole

Registry Numbers

CAS Registry Number

  • 129128-04-7

System Generated Number

  • 0129128047

Structure Descriptors

InChI

InChI=1S/C62H90N13O14P.C10H17N3O6S.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;11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;/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);5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);/q;;+3/p-3

InChIKey

NZRCMFDUKLMQKD-UHFFFAOYSA-K

Smiles

[Co+3].CC(CNC(=O)CCC1(C)C(CC(=O)N)C2[N-]/C/1=C(/C)\C3=N\C(=C/C4=N\C(=C(\C)/C5=NC2(C)C(C)(CC(=O)N)C5CCC(=O)N)\C(C)(CC(=O)N)C4CCC(=O)N)\C(C)(C)C3CCC(=O)N)OP(=O)([O-])OC6C(O)C(OC6CO)n7cnc8cc(C)c(C)cc78.NC(CCC(=O)NC(C[S-])C(=O)NCC(=O)O)C(=O)O