| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:16 UTC |
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| Update Date | 2025-03-25 00:46:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154150 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17N2O3+ |
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| Molecular Mass | 201.1234 |
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| SMILES | CC(=O)NC(=CC[N+](C)(C)C)C(=O)O |
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| InChI Key | RVHOTZAGTKKILT-UHFFFAOYSA-O |
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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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsaminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidestetraalkylammonium saltsunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidunsaturated fatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltacetamidetetraalkylammonium saltn-acyl-alpha-amino acidquaternary ammonium saltcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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