cobalt-precorrin-6A

Chemical Formula:

C₄₄H₄₅N₄O₁₆CO

Molecular Weight:

944.787 Daltons

Monoisotopic Mass:

952.2788568757 Daltons

SMILES:

CC8(CCC([O-])=O)(C(CC([O-])=O)=C5([N+]2(=C(CC1(C(CCC([O-])=O)=C(CC(=O)[O-])C3(C)([N+]=1[Co--]72([N+]4(C(C3)=C(C(C)(CC([O-])=O)C=4C=C6(C(C(C5(C)N67)(C)CC([O-])=O)CCC(=O)[O-]))CCC([O-])=O)))))8)))

InChI:

1S/C44H54N4O16.Co/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39;/h17,23H,6-16,18-20H2,1-5H3,(H9,45,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-9/t23-,40-,41+,42+,43+,44+;/m1./s1

InChIKey:

DFFFCFUPOVLDTP-IICGDJHVSA-E

Synonyms

cobalt-precorrin-6x

Databases

MetaCyc: CPD-9043

PubChem (CID): 70678582

ChEBI: 60064

KEGG: C11542

3DMET: B04376

MetaNetX: MNXM47441