heme
C34H32FeN4O4
Molecular FormulaC34H32FeN4O4
Molecular Weight616.5 g/mol
Exact Mass616.177291
SMILESCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe+2]
InChIKeyKABFMIBPWCXCRK-UHFFFAOYSA-L
XLogPundefined
TPSA101 Ų
Complexity1580
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Charge0
PubChem CID444098
Also Known As
heme119112-08-214875-96-8104244-10-2102087-07-0143258-00-83-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)protoporphyrin ix containing feSCHEMBL4008orb1298501STL513098AKOS037491592Ferrate(2-), [7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-.kappa.N21,.kappa.N22,.kappa.N23,.kappa.N24]-, dihydrogen, (SP-4-2)-[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~2~N~22~,N~24~)dipropanoato(2-)]iron