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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB110805 |
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Identification |
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| Name: |
uroporphyrinogen-III |
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| Description: | An octacarboxylic acid anion obtained by deprotonation of all eight carboxy groups of uroporphyrinogen III. |
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Structure |
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| Synonyms: | |
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Chemical Formula: |
C40H36N4O16
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| Average Molecular Weight: |
828.74 |
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| Monoisotopic Molecular
Weight: |
836.2752313868 |
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| InChI Key: |
HUHWZXWWOFSFKF-UHFFFAOYSA-F |
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| InChI: |
InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/p-8 |
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| CAS
number: |
1976-85-8 |
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| IUPAC Name: | 3,3',3'',3'''- [3,8,13,17-tetrakis(carboxylatomethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate |
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Traditional IUPAC Name: |
uroporphyrinogen-III |
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| SMILES: | C(=O)([O-])CCC3(C(=C2(CC5(NC(CC4(NC(CC1(NC(=C(C=1CC(=O)[O-])CCC(=O)[O-])CC(N2)=3))=C(CC(=O)[O-])C=4CCC(=O)[O-]))=C(CC([O-])=O)C(CCC(=O)[O-])=5)))CC(=O)[O-]) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities 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 |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organoheterocyclic compounds |
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| Sub Class | Tetrapyrroles and derivatives |
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Direct Parent |
Porphyrins |
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| Alternative Parents |
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| Substituents |
- Porphyrin
- Substituted pyrrole
- Pyrrole
- Heteroaromatic compound
- Carboxylic acid derivative
- Carboxylic acid
- Azacycle
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- 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: | -8 |
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Melting point: |
Not Available |
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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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Biological Properties |
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| Cellular Locations: |
Not Available |
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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: |
- Aizencang G, Solis C, Bishop DF, Warner C, Desnick RJ: Human uroporphyrinogen-III synthase: genomic organization, alternative promoters, and erythroid-specific expression. Genomics. 2000 Dec 1;70(2):223-31. [11112350 ]
- Martins BM, Grimm B, Mock HP, Huber R, Messerschmidt A: Crystal structure and substrate binding modeling of the uroporphyrinogen-III decarboxylase from Nicotiana tabacum. Implications for the catalytic mechanism. J Biol Chem. 2001 Nov 23;276(47):44108-16. Epub 2001 Aug 27. [11524417 ]
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| Synthesis Reference: |
Not Available |
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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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