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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 | PAMDB120032 |
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Identification |
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| Name: |
4-guanidinobutyramide |
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| Description: | A guanidinium ion arising from protonation of the imino NH of 4-guanidinobutanamide; major species at pH 7.3. |
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Structure |
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| Synonyms: | - 4-guanidiniumylbutanamide
- 4-guanidiniumylbutanamide cation
- 4-guanidinobutanamide
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Chemical Formula: |
C5H13N4O |
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| Average Molecular Weight: |
145.184 |
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| Monoisotopic Molecular
Weight: |
145.10893 |
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| InChI Key: |
YHVFECVVGNXFKO-UHFFFAOYSA-O |
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| InChI: | InChI=1S/C5H12N4O/c6-4(10)2-1-3-9-5(7)8/h1-3H2,(H2,6,10)(H4,7,8,9)/p+1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | amino[(4-amino-4-oxobutyl)amino]methaniminium |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C(NC(N)=[N+])CCC(=O)N |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. |
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Kingdom |
Organic compounds |
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| Super Class | Organic acids and derivatives |
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Class |
Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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Direct Parent |
Gamma amino acids and derivatives |
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| Alternative Parents |
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| Substituents |
- Gamma amino acid or derivatives
- Fatty acyl
- Fatty amide
- Primary carboxylic acid amide
- Carboxamide group
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Organic cation
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
- a small molecule (4-GUANIDO-BUTYRAMIDE)
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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: |
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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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