Coα-[α-(5-methylbenzimidazolyl)]-Coβ-adenosylcobamide 5'-phosphate
![<i>Co</i>α-[α-(5-methylbenzimidazolyl)]-<i>Co</i>β-adenosylcobamide 5'-phosphate](/media/image_cpd/svg/CPD-20839.svg)
Chemical Formula:
C71H97N18O20P2CO
Molecular Weight:
1643.533 Daltons
Monoisotopic Mass:
1645.6168509656002 Daltons
SMILES:
CC%15(=CC%13(=C(N%12(C%14(OC(COP([O-])(=O)[O-])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=C%15))
InChI:
1S/C61H89N13O17P2.C10H12N5O3.Co/c1-29-11-15-39-38(21-29)69-28-74(39)56-51(82)52(40(89-56)27-88-92(83,84)85)91-93(86,87)90-30(2)26-68-48(81)19-20-58(7)36(22-45(65)78)55-61(10)60(9,25-47(67)80)35(14-18-44(64)77)50(73-61)32(4)54-59(8,24-46(66)79)33(12-16-42(62)75)37(70-54)23-41-57(5,6)34(13-17-43(63)76)49(71-41)31(3)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;/h11,15,21,23,28,30,33-36,40,51-52,55-56,82H,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/t30-,33-,34-,35-,36+,40-,51-,52-,55-,56+,58-,59+,60+,61+;4-,6-,7-,10-;/m11./s1
InChIKey:
Synonyms
- 5-methylbenzimidazolyl cobamide 5'-phosphate
Databases
MetaCyc:
CPD-20839
PubChem (CID):
134820230