cobalt-precorrin-5A
Chemical Formula:
C45H45N4O16CO
Molecular Weight:
956.798 Daltons
Monoisotopic Mass:
963.2710318436 Daltons
SMILES:
CC1(C89(C(C)(CC(=O)O1)C(C3(N([Co--]46([N+]2(C(=C(CCC(=O)[O-])C(C)(CC(=O)[O-])C=2C=3)CC5(C)(N4C(C(CCC(=O)[O-])=C(CC(=O)[O-])5)=CC7(C(C)(CCC(=O)[O-])C(CC(=O)[O-])=C([N+]6=7)8)))))9))CCC(=O)[O-]))
InChI:
1S/C45H54N4O16.Co/c1-21-45-40-26(15-37(60)61)41(2,13-12-35(56)57)30(47-40)16-27-22(6-9-32(50)51)25(14-36(58)59)44(5,48-27)18-29-23(7-10-33(52)53)42(3,19-38(62)63)31(46-29)17-28(49-45)24(8-11-34(54)55)43(45,4)20-39(64)65-21;/h16-17,21,24H,6-15,18-20H2,1-5H3,(H9,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-9/t21?,24-,41-,42+,43+,44+,45?;/m1./s1
InChIKey:
Databases
MetaCyc:
CPD-9042
PubChem (CID):
70678586
ChEBI:
60062
KEGG:
C16242
Seed:
cpd19177
MetaNetX:
MNXM2508