cobalt-precorrin-5B
Chemical Formula:
C43H42N4O16CO
Molecular Weight:
929.752 Daltons
Monoisotopic Mass:
937.2553817794 Daltons
SMILES:
CC8(C5(=[N+]7([Co--]13(N6(C(C(C(C(=CC2(C(C(CCC(=O)[O-])=C([N+]1=2)CC4(C(=C(CCC(=O)[O-])C(N34)=C5)CC([O-])=O)C)(CC(=O)[O-])C))6)CCC([O-])=O)(CC(=O)[O-])C)C7=C(CC(=O)[O-])8)))))CCC(=O)[O-]
InChI:
1S/C43H52N4O16.Co/c1-40(12-11-33(54)55)24(14-35(58)59)38-39-42(3,19-37(62)63)21(6-9-31(50)51)26(45-39)16-29-41(2,18-36(60)61)22(7-10-32(52)53)27(44-29)17-43(4)23(13-34(56)57)20(5-8-30(48)49)25(47-43)15-28(40)46-38;/h15-16,21,39H,5-14,17-19H2,1-4H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-10/t21-,39?,40-,41+,42+,43+;/m1./s1
InChIKey:
Databases
MetaCyc:
CPD-9047
PubChem (CID):
91820391
ChEBI:
60063
KEGG:
C16243
Seed:
cpd14960
MetaNetX:
MNXM47439