Ferriheme hydroxide
PubChem CID: 27337
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| Compound Synonyms | hematin, Hydroxyhemin, Protohematin, Phenodin, Ferriheme hydroxide, Ferriporphyrin hydroxide, Ferriprotoporphyrin basic, Ferriprotoporphyrin IX hydroxide, Bovine hemin, 15489-90-4, Ferrihemate, Ferrihemic acid, 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid, iron(2+), hydrate, 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid, iron(2+), hydrate, 0WP180G15G, EINECS 239-518-9, Hydroxy(dihydrogen protoporphyrin IX-ato(2-))iron, UNII-0WP180G15G, Dihydrogen hydroxy(3,8,13,17-tetramethyl-7,12-divinyl-21H,23H-porphine-2,18-dipropionato(4-)-N21,N22,N23,N24)ferrate(2-), Iron, (dihydrogen 3,7,12,17-tetramethyl-8,13-divinyl-2,18-porphinedipropionato(2-))-hydroxy- |
|---|---|
| Topological Polar Surface Area | 103.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | CODDGSIFXYHHJO-UHFFFAOYSA-L |
| Rotatable Bond Count | 8.0 |
| Synonyms | [fe(ppix)(oh)], Fe(ppix)(oh), Ferriheme hydroxide, Ferriporphyrin hydroxide, Ferriprotoporphyrin basic, Ferriprotoporphyrin IX hydroxide, Hematin, Hydroxo(protoporphyrinato)iron(III), Hydroxyhemin, Phenodin, Protohematin |
| Heavy Atom Count | 44.0 |
| Compound Name | Ferriheme hydroxide |
| Description | . |
| Exact Mass | 634.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 634.188 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1010.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 634.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 3.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid, iron(2+), hydrate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C34H34N4O4.Fe.H2O/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, , /h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42), , 1H2/q, +2, /p-2 |
| Smiles | CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.O.[Fe+2] |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C34H34FeN4O5 |
- 1. Outgoing r'ship
FOUND_INto/from Armoracia Rusticana (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Theobroma Cacao (Plant) Rel Props:Source_db:fooddb_chem_all