siroheme
Chemical Formula:
C42H36N4O16FE
Molecular Weight:
908.611 Daltons
Monoisotopic Mass:
916.2101734867999 Daltons
SMILES:
CC4(CC(=O)[O-])(C(CCC(=O)[O-])C6(=CC8(=C(CC([O-])=O)C(CCC(=O)[O-])=C7(N([Fe--]25([N+]1(C(C(CCC([O-])=O)=C(CC(=O)[O-])C=1C=C3(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(N23)=CC4=[N+]56))=C7)))8))))
InChI:
1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-10/t23-,24-,41+,42+;/m1./s1
InChIKey:
Databases
MetaCyc:
SIROHEME
BiGG:
sheme
PubChem (CID):
70678579
ChEBI:
60052
KEGG:
C00748
Seed:
cpd00557
MetaNetX:
MNXM82173