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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 | PAMDB100043 |
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Identification |
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| Name: |
6-hydroxy-N-methylmyosmine(1+) |
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| Description: | An organic cation obtained by protonation of the tertiary amino function of 6-hydroxy-N-methylmyosmine; major species at pH 7.3. |
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Structure |
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| Synonyms: | - 6-hydroxy-N-methylmyosmine
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Chemical Formula: |
C10H13N2O |
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| Average Molecular Weight: |
177.2225 |
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| Monoisotopic Molecular
Weight: |
177.103 |
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| InChI Key: |
LWGKCPAYDQWMMS-UHFFFAOYSA-O |
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| InChI: | InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)/p+1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 1-methyl-5-(6-oxo-1,6-dihydropyridin-3-yl)-2,3-dihydro-1H-pyrrol-1-ium |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C[NH+]1CCC=C1c1ccc(O)nc1 |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone. |
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Kingdom |
Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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Class |
Pyridines and derivatives |
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| Sub Class | Hydropyridines |
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Direct Parent |
Pyridinones |
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| Alternative Parents |
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| Substituents |
- Dihydropyridine
- Pyridinone
- Pyrroline
- Heteroaromatic compound
- Lactam
- Tertiary amine
- Tertiary aliphatic amine
- Azacycle
- Amine
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic cation
- Aromatic heteromonocyclic compound
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| Molecular Framework |
Aromatic heteromonocyclic compounds |
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| External Descriptors |
- ammonium ion, organic cation (CHEBI:87164)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | +1 |
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Melting point: |
Not Available |
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| Experimental Properties: |
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: |
Not Available |
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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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