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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB110066 |
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Identification |
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| Name: |
4-guanidinobutyraldehyde |
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| Description: | Conjugate acid of 4-guanidinobutanal; major species at pH 7.3. |
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Structure |
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| Synonyms: | -
γ-4-guanidinobutyraldehyde
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4-guanidinobutanal
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Chemical Formula: |
C5H12N3O
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| Average Molecular Weight: |
130.0980370229 |
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| Monoisotopic Molecular
Weight: |
130.0980370229 |
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| InChI Key: |
VCOFTLCIPLEZKE-UHFFFAOYSA-O |
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| InChI: |
InChI=1S/C5H11N3O/c6-5(7)8-3-1-2-4-9/h4H,1-3H2,(H4,6,7,8)/p+1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | amino[(4-oxobutyl)amino]methaniminium |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C(CC[CH]=O)NC(N)=[N+] |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. |
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Kingdom |
Organic compounds |
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| Super Class | Organic oxygen compounds |
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Class |
Organooxygen compounds |
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| Sub Class | Carbonyl compounds |
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Direct Parent |
Alpha-hydrogen aldehydes |
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| Alternative Parents |
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| Substituents |
- Alpha-hydrogen aldehyde
- Organic nitrogen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organonitrogen compound
- Organic cation
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
- a small molecule (CPD-825)
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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: |
- L-arginine degradation IX (arginine:pyruvate transaminase pathway)PWY-5742
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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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