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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 | PAMDB110017 |
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Identification |
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| Name: |
3-guanidinopropanoate |
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| Description: | Zwitterionic form of 3-guanidinopropanoic acid having an anionic carboxy group and a protonated imine nitrogen. |
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Structure |
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| Synonyms: | |
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Chemical Formula: |
C4H9N3O2
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| Average Molecular Weight: |
131.13 |
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| Monoisotopic Molecular
Weight: |
132.0773015808 |
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| InChI Key: |
KMXXSJLYVJEBHI-UHFFFAOYSA-N |
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| InChI: |
InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7) |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 3-{[amino(iminio)methyl]amino}propanoate |
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Traditional IUPAC Name: |
3-guanidinopropanoic acid |
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| SMILES: | C(CC([O-])=O)NC(N)=[N+] |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organic nitrogen compounds |
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| Sub Class | Organonitrogen compounds |
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Direct Parent |
Guanidines |
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| Alternative Parents |
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| Substituents |
- Guanidine
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Carboximidamide
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Solid |
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| Charge: | 0 |
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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: |
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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