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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 | PAMDB110037 |
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Identification |
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| Name: |
preuroporphyrinogen |
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| Description: | Octaanion of preuroporphyrinogen arising from global deprotonation of the eight carboxy groups; major species at pH 7.3. |
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Structure |
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| Synonyms: | |
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Chemical Formula: |
C40H38N4O17
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| Average Molecular Weight: |
846.76 |
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| Monoisotopic Molecular
Weight: |
854.2857960731 |
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| InChI Key: |
WDFJYRZCZIUBPR-UHFFFAOYSA-F |
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| InChI: |
InChI=1S/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/p-8 |
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| CAS
number: |
73023-76-4 |
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| IUPAC Name: | 3,8,13,18-tetrakis(carboxylatomethyl)-19-(hydroxymethyl)bilane-2,7,12,17-tetrapropanoate |
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Traditional IUPAC Name: |
hydroxymethylbilane |
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| SMILES: | C(O)C1(NC(=C(CCC(=O)[O-])C(CC(=O)[O-])=1)CC2(=C(CC(=O)[O-])C(CCC(=O)[O-])=C(N2)CC4(=C(CC([O-])=O)C(CCC(=O)[O-])=C(CC3(=C(CC([O-])=O)C(CCC(=O)[O-])=CN3))N4))) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as tetrapyrroles and derivatives. These are polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next. |
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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 |
Tetrapyrroles and derivatives |
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| Alternative Parents |
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| Substituents |
- Tetrapyrrole skeleton
- Substituted pyrrole
- Pyrrole
- Heteroaromatic compound
- Azacycle
- Carboxylic acid
- Carboxylic acid derivative
- Hydrocarbon derivative
- Aromatic alcohol
- Organic oxygen compound
- Organic nitrogen compound
- Alcohol
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Organic oxide
- Organopnictogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework |
Aromatic heteromonocyclic 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: |
Not Available |
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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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