cobalt-precorrin-3
Chemical Formula:
C43H40N4O16CO
Molecular Weight:
927.736 Daltons
Monoisotopic Mass:
935.2397317151999 Daltons
SMILES:
CC4(C7(N8([Co--]25([N+]1(C(=C(CCC(=O)[O-])C(CC(=O)[O-])C=1C=C3(C(CCC(=O)[O-])C(C)(CC(=O)[O-])C(N23)=CC6(C(CCC(=O)[O-])C(C=4[N+]5=6)(C)CC([O-])=O)))CC(=C(CCC(=O)[O-])C(CC(=O)[O-])=7)8)))))
InChI:
1S/C43H49N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h15-16,22,24-25H,4-14,17-18H2,1-3H3,(H9,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q-1;+2/p-9/b41-19-;/t22?,24-,25-,42+,43+;/m1./s1
InChIKey:
Databases
MetaCyc:
CPD-9040
PubChem (CID):
70678588
ChEBI:
60060
KEGG:
C11539
Seed:
cpd08369
MetaNetX:
MNXM92204