| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:34:10 UTC |
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| Update Date | 2020-05-11 20:21:15 UTC |
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| BMDB ID | BMDB0000643 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Coproporphyrin I |
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| Description | Coproporphyrin I 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 I is possibly soluble (in water) and a very strong basic compound (based on its pKa). Coproporphyrin I exists in all eukaryotes, ranging from yeast to humans. In cattle, coproporphyrin i is involved in the metabolic pathway called the porphyrin metabolism pathway. Coproporphyrin I 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 | | 3,8,13,18-Tetramethyl-2,7,12,17-porphinetetrapropionate | HMDB | | 3,8,13,18-Tetramethyl-2,7,12,17-porphinetetrapropionic acid | HMDB | | 3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionate | HMDB | | 3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionic acid | HMDB |
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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-[9,14,19-tris(2-carboxyethyl)-5,10,15,20-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-[9,14,19-tris(2-carboxyethyl)-5,10,15,20-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 | 531-14-6 |
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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(CCC(O)=O)=C4C)/C(CCC(O)=O)=C3C |
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| InChI Identifier | InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)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-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15- |
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| InChI Key | VORBHEGMEBOMMB-JRHDEHKPSA-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 | |
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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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