Coα-[α-(5-methoxybenzimidazolyl)]-Coβ-adenosylcobamide 5'-phosphate
![<i>Co</i>α-[α-(5-methoxybenzimidazolyl)]-<i>Co</i>β-adenosylcobamide 5'-phosphate](/media/image_cpd/svg/CPD-13940.svg)
Chemical Formula:
C71H97N18O21P2CO
Molecular Weight:
1659.533 Daltons
Monoisotopic Mass:
1661.6117655877001 Daltons
SMILES:
CC4(OP([O-])(=O)OC1(C(O)C(OC(COP([O-])(=O)[O-])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/C61H89N13O18P2.C10H12N5O3.Co/c1-29(91-94(86,87)92-52-40(27-89-93(83,84)85)90-56(51(52)82)74-28-69-38-21-32(88-10)11-15-39(38)74)26-68-48(81)19-20-58(6)36(22-45(65)78)55-61(9)60(8,25-47(67)80)35(14-18-44(64)77)50(73-61)31(3)54-59(7,24-46(66)79)33(12-16-42(62)75)37(70-54)23-41-57(4,5)34(13-17-43(63)76)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;/h11,15,21,23,28-29,33-36,40,51-52,55-56,82H,12-14,16-20,22,24-27H2,1-10H3,(H17,62,63,64,65,66,67,68,70,71,72,73,75,76,77,78,79,80,81,83,84,85,86,87);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-4/t29-,33-,34-,35-,36+,40-,51-,52-,55-,56+,58-,59+,60+,61+;4-,6-,7-,10-;/m11./s1
InChIKey:
Synonyms
- 5-methoxybenzimidazolyl cobamide 5'-phosphate
Databases
MetaCyc:
CPD-13940
Seed:
cpd24099
MetaNetX:
MNXM38191