adenosylcobinamide
Chemical Formula:
C58H84N16O11CO
Molecular Weight:
1240.332 Daltons
Monoisotopic Mass:
1239.5837478227 Daltons
SMILES:
CC(O)CNC(=O)CCC5(C)(C(CC(=O)N)C7(C%11(C)(C(C)(CC(N)=O)C(CCC(N)=O)C1(=[N+]([Co--]26([N+]4(C(=CC3(C(CCC(N)=O)C(C)(CC(N)=O)C(=C(C)1)[N+]2=3))C(C)(C)C(CCC(N)=O)C=4C(C)=C5N67))(CC8(C(C(O)C(O8)N9(C=NC%10(=C9N=CN=C%10N)))O)))%11))))
InChI:
1S/C48H73N11O8.C10H12N5O3.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;4-,6-,7-,10-;/m11./s1
InChIKey:
Synonyms
- AdoCbi
Databases
MetaCyc:
ADENOSYLCOBINAMIDE
BiGG:
adocbi
HMDB:
HMDB06903
ChEBI:
2480
KEGG:
C06508
Seed:
cpd03918
MetaNetX:
MNXM90790