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Substance Name: Co-(Carboxymethyl)cobalamin
RN: 14517-61-4
InChIKey: BLVFOUZBPXHCMZ-UHFFFAOYSA-L

Molecular Formula

  • C64-H91-Co-N13-O16-P

Molecular Weight

  • 1388.4049
 
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Names and Synonyms

Name of Substance

  • Co-(Carboxymethyl)cobalamin

Synonym

  • (Carboxymethyl)cobalamin

Systematic Name

  • Cobinamide, Co-(carboxymethyl) deriv., dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole

Registry Numbers

CAS Registry Number

  • 14517-61-4

System Generated Number

  • 0014517614

Structure Descriptors

InChI

1S/C62H90N13O14P.C2H3O2.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;1-2(3)4;/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);1H2,(H,3,4);/q;-1;+3/p-2

InChIKey

BLVFOUZBPXHCMZ-UHFFFAOYSA-L

Smiles

Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)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)O.[CH2-]C(=O)O.[Co+3]