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Substance Name: Factor III, vitamin B 12
RN: 14708-95-3
InChIKey: MAKWLFSKRAUSAV-UHFFFAOYSA-L

Molecular Formula

  • C61-H84-Co-N14-O15-P

Molecular Weight

  • 1343.3246
 
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Names and Synonyms

Name of Substance

  • Factor III, vitamin B 12

Synonyms

  • 5-Hydroxybenzimidazolylcobamid
  • 5-Hydroxybenzimidazolylcobamide
  • Co(beta)-Cyano-5'-hydroxybenzimidazolylcobamide
  • Factor III, corrinoid
  • HMQC
  • NSC 514684

Systematic Name

  • Cobinamide, cyanide, dihydrogen phosphate (ester), inner salt, 3'-ester with 1-alpha-D-ribofuranosyl-1H-benzimidazol-5-ol

Registry Numbers

CAS Registry Number

  • 14708-95-3

System Generated Number

  • 0014708953

Structure Descriptors

InChI

1S/C60H86N13O15P.CN.Co/c1-28(87-89(84,85)88-51-39(26-74)86-55(50(51)83)73-27-68-37-20-31(75)10-14-38(37)73)25-67-47(82)18-19-57(6)35(21-44(64)79)54-60(9)59(8,24-46(66)81)34(13-17-43(63)78)49(72-60)30(3)53-58(7,23-45(65)80)32(11-15-41(61)76)36(69-53)22-40-56(4,5)33(12-16-42(62)77)48(70-40)29(2)52(57)71-54;1-2;/h10,14,20,22,27-28,32-35,39,50-51,54-55,74,83H,11-13,15-19,21,23-26H2,1-9H3,(H16,61,62,63,64,65,66,67,69,70,71,72,75,76,77,78,79,80,81,82,84,85);;/q;-1;+3/p-2

InChIKey

MAKWLFSKRAUSAV-UHFFFAOYSA-L

Smiles

C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)([O-])OC6C(OC(C6O)n7cnc8c7ccc(c8)O)CO.[C-]#N.[Co+3]