uroporphyrin I

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 13
Total Number of Articles : 15
PubChem 72424
Molecular Formula

C40H38N4O16

SMILES

C1=C2C(=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1N5)CC(=O)O)CCC(=O)O)C(=C4CCC(=O)O)CC(=O)O)C(=C3CCC(=O)O)CC(=O)O)N2)CC(=O)O)CCC(=O)O

InChI

InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41-42H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)

synonyms
  • Uroporphyrin I
  • 607-14-7
  • 2,7,12,17-Porphinetetrapropionic acid
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Properties
Property Value
MW 830.7 g/mol
HBD 10
HBA 18
Rotatable Bond Count 20
Exact Mass 830.22828114 g/mol
Monoisotopic Mass 830.22828114 g/mol
Heavy Atom Count 60
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 1630
xlogp -1
Topological Polar Surface Area 356