| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:55 UTC |
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| Update Date | 2025-03-21 18:33:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097863 |
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| Frequency | 28.1 |
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| Structure | |
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| Chemical Formula | C9H16N2O3+ |
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| Molecular Mass | 200.1155 |
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| SMILES | CCC(C)C(NC(=O)C(C)[N+])C(=O)O |
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| InChI Key | PDGOLYBUECHROH-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationisoleucine or derivativesn-acyl-alpha amino acid or derivativesmethyl-branched fatty acidn-acyl-alpha-amino acidcarboxamide groupbranched fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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