Coα-[α-(5-methoxy-6-methyl-benzimidazolyl)]-Coβ-adenosylcobamide

Chemical Formula:

C₇₂H₁₀₀N₁₈O₁₈PCO

Molecular Weight:

1595.595 Daltons

Monoisotopic Mass:

1595.6610852435003 Daltons

SMILES:

CC%15(=C(OC)C=C%13(C(N%12(C%14(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C(CC(N)=O)C2(C4(C)(C(C)(CC(N)=O)C(CCC(=O)N)C3(C(C)=C8(C(CC(=O)N)(C(CCC(N)=O)C7(C=C6(C(C)(C)C(CCC(N)=O)C5(C(C)=C1N2[Co---]([N+]=34)([N+]=56)([N+]=78)(CC9(C(C(O)C(O9)N%10(C=NC%11(C%10=NC=NC=%11N)))O))[N+](=C%12)%13))))C)))))(C))C(O)%14)))=C%15))

InChI:

1S/C62H90N13O15P.C10H12N5O3.Co/c1-29-20-39-38(22-40(29)87-11)70-28-75(39)57-52(84)53(41(27-76)88-57)90-91(85,86)89-30(2)26-69-49(83)18-19-59(7)36(21-46(66)80)56-62(10)61(9,25-48(68)82)35(14-17-45(65)79)51(74-62)32(4)55-60(8,24-47(67)81)33(12-15-43(63)77)37(71-55)23-42-58(5,6)34(13-16-44(64)78)50(72-42)31(3)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20,22-23,28,30,33-36,41,52-53,56-57,76,84H,12-19,21,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t30-,33-,34-,35-,36+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1

InChIKey:

ZZPRKQGPQSAXRO-CRNCEFDCSA-L

Synonyms

5-methoxy-6-methylbenzimidazolyl cobamide

Databases

MetaCyc: CPD-20848

PubChem (CID): 134820551