Coα-[α-(5-methoxybenzimidazolyl)]-Coβ-adenosylcobamide

Chemical Formula:

C₇₁H₉₈N₁₈O₁₈PCO

Molecular Weight:

1581.569 Daltons

Monoisotopic Mass:

1581.6454351793002 Daltons

SMILES:

CC4(OP([O-])(=O)OC1(C(O)C(OC(CO)1)N3(C2(=CC=C(OC)C=C2[N+](=C3)[Co---]89%11([N+]6(=C5(C(C)=C%12(C(CC(=O)N)(C(CCC(N)=O)C(C=C%10(C(C)(C)C(CCC(N)=O)C(C(C)=C7(C(CCC(NC4)=O)(C(CC(N)=O)C(C(C)(C(C)(CC(N)=O)C(CCC(=O)N)5)6)N78)C))=[N+]9%10))=[N+]%11%12)C))))(CC%13(C(C(O)C(O%13)N%14(C=NC%15(C%14=NC=NC=%15N)))O))))))

InChI:

1S/C61H88N13O15P.C10H12N5O3.Co/c1-29(88-90(84,85)89-52-40(27-75)87-56(51(52)83)74-28-69-38-21-32(86-10)11-15-39(38)74)26-68-48(82)19-20-58(6)36(22-45(65)79)55-61(9)60(8,25-47(67)81)35(14-18-44(64)78)50(73-61)31(3)54-59(7,24-46(66)80)33(12-16-42(62)76)37(70-54)23-41-57(4,5)34(13-17-43(63)77)49(71-41)30(2)53(58)72-55;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h11,15,21,23,28-29,33-36,40,51-52,55-56,75,83H,12-14,16-20,22,24-27H2,1-10H3,(H15,62,63,64,65,66,67,68,70,71,72,73,76,77,78,79,80,81,82,84,85);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t29-,33-,34-,35-,36+,40-,51-,52-,55-,56+,58-,59+,60+,61+;4-,6-,7-,10-;/m11./s1

InChIKey:

ZPZDVGOAUUJCKH-AQBUFCLLSA-L

Synonyms

5-methoxybenzimidazolyl cobamide
adenosyl factor IIIm

Databases

MetaCyc: CPD-20847

PubChem (CID): 134820131