| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:09:31 UTC |
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| Update Date | 2025-03-25 01:19:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02360934 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9NO2+ |
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| Molecular Mass | 127.0628 |
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| SMILES | CC1=[N+]C(C(=O)O)CC1 |
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| InChI Key | KWTKVLKFZBSFBA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compoundspyrroline 2-carboxylic acids |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleiminepyrroline carboxylic acid or derivativespyrroline 2-carboxylic acidorganic oxidemonocarboxylic acid or derivativespyrrolineorganic oxygen compoundpyrroline carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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