cobalt-precorrin-4
Chemical Formula:
C44H43N4O16CO
Molecular Weight:
942.771 Daltons
Monoisotopic Mass:
949.2553817794 Daltons
SMILES:
CC2(OC(=O)CC9(C)(C(CCC(=O)[O-])C1(=CC6(=[N+]5([Co--]34(N1C2(C8([N+]3=C(CC7(N4C(CC5=C(CCC(=O)[O-])C(C)(CC(=O)[O-])6)=C(CC(=O)[O-])C(CCC(=O)[O-])=7))C(C)(CCC(=O)[O-])C(CC(=O)[O-])=8))9))))))
InChI:
1S/C44H51N4O16.Co/c1-20-44-40-25(14-37(59)60)41(2,12-11-35(55)56)30(47-40)16-27-21(5-8-32(49)50)22(13-36(57)58)26(45-27)15-28-23(6-9-33(51)52)42(3,18-38(61)62)31(46-28)17-29(48-44)24(7-10-34(53)54)43(44,4)19-39(63)64-20;/h17,20,24H,5-16,18-19H2,1-4H3,(H8,46,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q-1;+2/p-8/t20?,24-,41-,42+,43+,44+;/m1./s1
InChIKey:
Databases
MetaCyc:
CPD-9041
PubChem (CID):
91820287
ChEBI:
60061
KEGG:
C11540
Seed:
cpd08370
MetaNetX:
MNXM2361