| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:32:58 UTC |
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| Update Date | 2020-05-11 20:21:09 UTC |
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| BMDB ID | BMDB0000570 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Coproporphyrin III |
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| Description | Coproporphyrin III 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. Coproporphyrin III is possibly soluble (in water) and a very strong basic compound (based on its pKa). Coproporphyrin III exists in all living species, ranging from bacteria to humans. In cattle, coproporphyrin iii is involved in the metabolic pathway called the porphyrin metabolism pathway. Coproporphyrin III is a potentially toxic compound. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 3,8,13,17-Tetramethylporphyrin-2,7,12,18-tetrapropanoic acid | ChEBI | | 3,8,13,17-Tetramethylporphyrin-2,7,12,18-tetrapropanoate | Generator |
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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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| IUPAC Name | 3-[9,15,19-tris(2-carboxyethyl)-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoic acid |
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| Traditional Name | 3-[9,15,19-tris(2-carboxyethyl)-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoic acid |
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| CAS Registry Number | 14643-66-4 |
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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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| InChI Identifier | 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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| InChI Key | JWFCYWSMNRLXLX-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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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | 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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