| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:27:16 UTC |
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| Update Date | 2020-05-20 23:10:48 UTC |
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| BMDB ID | BMDB0000241 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Protoporphyrin IX |
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| Description | Protoporphyrin IX, also known as porphyrinogen IX or H2PPIX, belongs to the class of organic compounds known as porphyrins. Porphyrins are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure. Protoporphyrin IX exists in all living species, ranging from bacteria to plants to humans. Based on a literature review a significant number of articles have been published on Protoporphyrin IX. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 3,3'-(3,7,12,17-Tetramethyl-8,13-divinyl-21H,23H-porphine-2,18-diyl)-bis-propionic acid | ChEBI | | 3,7,12,17-Tetramethyl-8,13-divinylporphyrin-2,18-dipropanoic acid | ChEBI | | H2PpIX | ChEBI | | Kammerer's prophyrin | ChEBI | | Ooporphyrin | ChEBI | | Porphyrinogen IX | ChEBI | | 3,3'-(3,7,12,17-Tetramethyl-8,13-divinyl-21H,23H-porphine-2,18-diyl)-bis-propionate | Generator | | 3,7,12,17-Tetramethyl-8,13-divinylporphyrin-2,18-dipropanoate | Generator | | 3,3'-(3,7,12,17-Tetramethyl-8,13-divinylporphine-2,18-diyl)di | HMDB | | PpIX | HMDB | | Protoporphyrin | HMDB | | Protoporphyrin-"ix" | HMDB | | Protoporphyrin-IX | HMDB |
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| Chemical Formula | C34H34N4O4 |
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| Average Molecular Weight | 562.6582 |
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| Monoisotopic Molecular Weight | 562.258005596 |
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| IUPAC Name | 3-[20-(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoic acid |
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| Traditional Name | 3-[20-(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoic acid |
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| CAS Registry Number | 553-12-8 |
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| SMILES | CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O |
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| InChI Identifier | InChI=1S/C34H34N4O4/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/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- |
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| InChI Key | KSFOVUSSGSKXFI-UJJXFSCMSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as porphyrins. Porphyrins are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Tetrapyrroles and derivatives |
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| Sub Class | Porphyrins |
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| Direct Parent | Porphyrins |
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| Alternative Parents | Not Available |
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| Substituents | Not Available |
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| Molecular Framework | Not Available |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
- Mitochondria
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 300 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 0.169 mg/mL at 25 °C | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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