protoporphyrin IX

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 380
Total Number of Articles : 720
PubChem 4971
Molecular Formula

C34H34N4O4

SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C

InChI

InChI=1S/C34H34N4O4/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/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)

synonyms
  • protoporphyrin IX
  • protoporphyrin
  • 553-12-8
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Properties
Property Value
MW 562.7 g/mol
HBD 4
HBA 6
Rotatable Bond Count 8
Exact Mass 562.25800558 g/mol
Monoisotopic Mass 562.25800558 g/mol
Heavy Atom Count 42
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 1010
xlogp 4.6
Topological Polar Surface Area 132