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Substance Name: Cobamide
RN: 14709-02-5
InChIKey: GMEHCJNOLBZEHN-UHFFFAOYSA-L

Molecular Weight

  • 1201.18
 
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Names and Synonyms

  • Cobamide

Registry Numbers

CAS Registry Number

  • 14709-02-5

System Generated Number

  • 0014709025

Structure Descriptors

InChI

1S/C53H82N11O15P.Co/c1-24(78-80(75,76)79-44-32(23-65)77-48(74)43(44)73)22-60-40(72)16-17-50(6)30(18-37(57)69)47-53(9)52(8,21-39(59)71)29(12-15-36(56)68)42(64-53)26(3)46-51(7,20-38(58)70)27(10-13-34(54)66)31(61-46)19-33-49(4,5)28(11-14-35(55)67)41(62-33)25(2)45(50)63-47;/h19,24,27-30,32,43-44,47-48,65,73-74H,10-18,20-23H2,1-9H3,(H15,54,55,56,57,58,59,60,61,62,63,64,66,67,68,69,70,71,72,75,76);/q;+3/p-2

InChIKey

GMEHCJNOLBZEHN-UHFFFAOYSA-L

Smiles

[Co+3].C(CC[C@@H]1C(C)(C)C2=CC3=NC(=C(C4=N[C@@]([C@@H]5[N-]C(=C(C)C1=N2)[C@@](C)(CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@@H]1[C@@H](O[C@@H]([C@@H]1O)O)CO)[C@@H]5CC(N)=O)(C)[C@@](CC(N)=O)(C)[C@@H]4CCC(N)=O)C)[C@@]([C@@H]3CCC(N)=O)(C)CC(N)=O)(=O)N