Molecular Identity
protoporphyrin IX
3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
PubChem CID: 4971
Protoporphyrin is a cyclic tetrapyrrole that consists of porphyrin bearing four methyl substituents at positions 3, 8, 13 and 17, two vinyl substituents at positions 7 and 12 and two 2-carboxyethyl substituents at positions 2 and 18. The parent of the class of protoporphyrins. It has a role as a metabolite, a photosensitizing agent, a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a protoporphyrinate and a protoporphyrin(2-).
2D Structure
Properties
C34H34N4O4
Molecular Formula
562.70
Molecular Weight
g/mol
562.2580
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
132
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
protoporphyrin IXprotoporphyrin553-12-8OoporphyrinProtoporpyrin IXProtoporphyrin IX disodiumPorphyrinogen IXKammerer's prophyrinH2ppIXKammerer's porphyrinMLS0010747313-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acidCHEBI:15430NSC2632C34H34N4O4
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to protoporphyrin IX
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