ferric coprogen





Chemical Formula:
C35H53N6O13FE
Molecular Weight:
821.683 Daltons
Monoisotopic Mass:
824.3254780161001 Daltons
SMILES:
CC(CCO)=CC(N(CCC[CH]1(NC(=O)[CH](NC(=O)1)CCCN([O-])C(=O)C=C(C)CCOC(C(NC(=O)C)CCCN([O-])C(=O)C=C(C)CCO)=O))[O-])=O.[Fe+++]
InChI:
1S/C35H53N6O13.Fe/c1-23(11-17-42)20-30(45)39(51)14-5-8-27-33(48)38-28(34(49)37-27)9-6-15-40(52)32(47)22-25(3)13-19-54-35(50)29(36-26(4)44)10-7-16-41(53)31(46)21-24(2)12-18-43;/h20-22,27-29,42-43H,5-19H2,1-4H3,(H,36,44)(H,37,49)(H,38,48);/q-3;+3/b23-20+,24-21+,25-22+;/t27-,28-,29-;/m0./s1

Databases
MetaCyc:  CPD0-621
ChEBI:  83101
BiGG:  cpgn
PubChem (CID):  90659013 76957149
MetaNetX:  MNXM148240