cobalt-precorrin-7
Chemical Formula:
C44H50N4O14CO
Molecular Weight:
917.827 Daltons
Monoisotopic Mass:
924.3203277599 Daltons
SMILES:
CC6(C7(C(C([CH]8(C2(N1([Co--]4([N+]3(=C(C=C1C(CCC([O-])=O)C(CC(=O)[O-])(C)2)C(C(CCC(=O)[O-])=C3CC5(C(=C(CCC(=O)[O-])C(=[N+]45)6)C)C)(CC(=O)[O-])C))[N+]=78))C))CC(=O)[O-])(C)CCC(=O)[O-]))
InChI:
1S/C44H58N4O14.Co/c1-21-37-23(8-11-30(49)50)22(2)43(6,48-37)18-28-24(9-12-31(51)52)41(4,19-35(59)60)29(45-28)17-27-25(10-13-32(53)54)42(5,20-36(61)62)44(7,47-27)39-26(16-34(57)58)40(3,38(21)46-39)15-14-33(55)56;/h17,21,25-26,39H,8-16,18-20H2,1-7H3,(H8,45,47,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-8/t21?,25-,26+,39-,40-,41+,42+,43?,44+;/m1./s1
InChIKey:
Databases
MetaCyc:
CPD-9048
PubChem (CID):
90658383
ChEBI:
70791
KEGG:
C16244
Seed:
cpd14961
MetaNetX:
MNXM47444