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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB000151 |
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Identification |
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| Name: |
Coproporphyrin III |
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| Description: | Coproporphyrin III is a porphyrin metabolite arising from heme synthesis. Coproporphyrin III is a tetrapyrrole dead-end product from the spontaneous oxidation of the methylene bridges of coproporphynogen, arising from heme synthesis. |
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Structure |
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| Synonyms: | - 3,8,13,17-Tetramethylporphyrin-2,7,12,18-tetrapropanoate
- 3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrapropanoic acid
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Chemical Formula: |
C36H38N4O8 |
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| Average Molecular Weight: |
654.7089 |
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| Monoisotopic Molecular
Weight: |
654.268964212 |
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| InChI Key: |
JWFCYWSMNRLXLX-UJJXFSCMSA-N |
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| InChI: | InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- |
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| CAS
number: |
14643-66-4 |
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| IUPAC Name: | 3-[10,14,19-tris(2-carboxyethyl)-5,9,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1?,??1????.1??,???tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoic acid |
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Traditional IUPAC Name: |
coproporphyrin III |
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| SMILES: | CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(CCC(O)=O)=C3C |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as porphyrins. These 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 |
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| Substituents |
- Porphyrin
- Tetracarboxylic acid or derivatives
- Substituted pyrrole
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Carboxylic acid
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Aromatic heteropolycyclic compound
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| Molecular Framework |
Aromatic heteropolycyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Solid |
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| Charge: | -4 |
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Melting point: |
Not Available |
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| Experimental Properties: |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Membrane |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
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References |
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| References: |
- Doss MO: Porphyrinurias and occupational disease. Ann N Y Acad Sci. 1987;514:204-18. Pubmed: 3327428
- Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
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| Synthesis Reference: |
Minoda, Taiji; Takada, Toshihiro; Horii, Shinichi. Coproporphyrin III. Jpn. Kokai Tokkyo Koho (1979), 3 pp. |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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