Cobamide

CAS Registry Number®

14709-02-5
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CAS Name

Cobamide

Molecular Formula

C53H80CoN11O15P

Cite this Page

Cobamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14709-02-5 (retrieved 2024-04-26) (CAS RN: 14709-02-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=GMEHCJNOLBZEHN-UHFFFAOYSA-L

SMILES

CC12[N]=3[Co+3]45[N-]6C1C(CC(N)=O)C(CCC(NCC(OP(OC7C(CO)OC(O)C7O)(=O)[O-])C)=O)(C)C6=C(C)C8=[N]4C(=CC9=[N]5C(=C(C)C3C(CCC(N)=O)C2(CC(N)=O)C)C(CC(N)=O)(C)C9CCC(N)=O)C(C)(C)C8CCC(N)=O

Canonical SMILES

O=C(N)CCC1C=2C=C3[N]4=C(C(=C5[N-]6C(C(CC(=O)N)C5(C)CCC(=O)NCC(OP(=O)([O-])OC7C(O)C(O)OC7CO)C)C8([N]9=C(C(=C([N]2[Co+3]496)C1(C)CC(=O)N)C)C(CCC(=O)N)C8(C)CC(=O)N)C)C)C(CCC(=O)N)C3(C)C

Other Names for this Substance

  • Cobamide
  • D-Ribofuranose, 3-(dihydrogen phosphate), monoester with cobinamide, mono(inner salt)
  • [2,7,18-Tris(2-amino-2-oxoethyl)-1,2,5,7,12,12,15,17-octamethyl-N17-[2-(phosphonooxy)propyl]-3,8,13,17-corrintetrapropanamidato(1-)-N21,N22,N23,N24]cobalt(2+) mono(inner salt) 3-ester with D-ribofuranose
  • Cobalt(2+), [2,7,18-tris(2-amino-2-oxoethyl)-1,2,5,7,12,12,15,17-octamethyl-N17-[2-(phosphonooxy)propyl]-3,8,13,17-corrintetrapropanamidato(1-)-κN21,κN22,κN23,κN24]-, mono(inner salt), 3-ester with D-ribofuranose
  • Cobalt(2+), [2,7,18-tris(2-amino-2-oxoethyl)-1,2,5,7,12,12,15,17-octamethyl-N17-[2-(phosphonooxy)propyl]-3,8,13,17-corrintetrapropanamidato(1-)-N21,N22,N23,N24]-, mono(inner salt), 3-ester with D-ribofuranose

Deleted or Replaced CAS Registry Numbers

13463-50-8, 173420-69-4

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