cobalt-precorrin-6B

Chemical Formula:

C₄₄H₄₆N₄O₁₆CO

Molecular Weight:

945.795 Daltons

Monoisotopic Mass:

953.2866819078 Daltons

SMILES:

CC8(CCC([O-])=O)(C(CC([O-])=O)[CH]5([N+]2(=C(C=C1(C(CCC([O-])=O)=C(CC(=O)[O-])C3(C)(N1[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/C44H56N4O16.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;/h16-17,23,25,39H,6-15,18-20H2,1-5H3,(H10,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-10/t23-,25+,39-,40-,41+,42+,43?,44+;/m1./s1

InChIKey:

IZWUIRIHNWTFFS-KKDNDJEHSA-D

Synonyms

cobalt-precorrin-6y

Databases

MetaCyc: CPD-9044

PubChem (CID): 91820481

ChEBI: 3789

KEGG: C11543

Seed: cpd08373

MetaNetX: MNXM2653

3DMET: B04377