| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:55 UTC |
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| Update Date | 2025-03-25 00:47:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164523 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H23N2O3+ |
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| Molecular Mass | 231.1703 |
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| SMILES | CC(NC(C(=O)O)C(C)C)C(=O)[N+](C)(C)C |
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| InChI Key | KRZSALSNAUXNOL-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 | valine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acid amidesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationsecondary aliphatic aminemethyl-branched fatty acidalpha-amino acid amidevaline or derivativessecondary aminebranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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