| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:17 UTC |
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| Update Date | 2025-03-25 01:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250061 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15N2O4+ |
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| Molecular Mass | 203.1026 |
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| SMILES | C[N+](C)=C(CCC(N)C(=O)O)C(=O)O |
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| InChI Key | ADTHUJORKWDYPV-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-imino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary ketimines |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-imino acid or derivativesalpha-imino acidfatty acidamino fatty acidsecondary ketimineorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidprimary aliphatic amineorganic nitrogen compoundorganic cationorganooxygen compound |
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