Hemin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 693
Total Number of Articles : 1036
PubChem 170996883
Molecular Formula

C34H32ClFeN4O4-3

SMILES

CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe]

InChI

InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/p-3

synonyms
  • hemin
  • 16009-13-5
  • DA-53936
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Properties
Property Value
MW 651.9 g/mol
HBD 2
HBA 9
Rotatable Bond Count 8
Exact Mass 651.146144 g/mol
Monoisotopic Mass 651.146144 g/mol
Heavy Atom Count 44
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 3
Complexity 1010
xlogp None
Topological Polar Surface Area 102