Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C49H58FeN4O5
- Molecular weight
- 838.9 g/mol
- IUPAC name
- 3-[18-(2-carboxyethyl)-13-ethenyl-8-[(1S,4Z,8Z,12E)-1-hydroxy-13,14-dimethylpentadeca-4,8,12-trienyl]-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)
- SMILES
- CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)[C@H](CC/C=C\CC/C=C\CC/C=C(\C)/C(C)C)O)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe+2]
- InChIKey
- MSDQYARVLRSHGB-HQRZMRPPSA-L
- Polar surface area
- 122 Ų
- H-bond donors
- 3
- H-bond acceptors
- 9
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- primary metabolite
- Has part
- carbon
- Mass
- 838.375658
Show 4 more facts
- Commons category
- Haem o
- canonical SMILES
- CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C(CCC=CCCC=CCCC=C(C)C(C)C)O)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C=C.[Fe+2]
- isomeric SMILES
- CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)[C@H](CC/C=C\CC/C=C\CC/C=C(\C)/C(C)C)O)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C=C.[Fe+2]
- chemical formula
- C₄₉H₅₈FeN₄O₅
Sources (2)
via Wikidata · CC0