Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C49H56FeN4O6
- Molecular weight
- 852.8 g/mol
- IUPAC name
- 3-[18-(2-carboxyethyl)-7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13-trimethylporphyrin-22,24-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@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C)C=O)CCC(=O)O)C(=C3C)CCC(=O)O)C=C.[Fe+2]
- InChIKey
- ZGGYGTCPXNDTRV-YRJWGCQVSA-L
- Polar surface area
- 139 Ų
- H-bond donors
- 3
- H-bond acceptors
- 10
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- primary metabolite
- Mass
- 852.3549230120001
Show 4 more facts
- canonical SMILES
- C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CCC(O)c1c2/C=C\3C(\C)=C(\C=C)/C=4/C=C8/C(/C)=C(/CCC(O)=O)\C7=C\C5C(\CCC(O)=O)=C(\C=O)/C6=C/c(c1C)n2[Fe-2]([N+]/3=4)(N56)N78
- chemical formula
- C₄₉H₅₆O₆N₄Fe
- Commons category
- Haem a
- isomeric SMILES
- C=CC1=C(C)C2=CC3=NC(=CC4=NC(=C(CCC(=O)O)C4=C[O-])C=c4[n-]c(c(C)c4CCC(=O)O)=CC1=N2)C(C)=C3[C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.[Fe+2]
Sources (3)
via Wikidata · CC0