| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:33 UTC |
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| Update Date | 2025-03-21 18:34:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099402 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C8H11NO6 |
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| Molecular Mass | 217.0586 |
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| SMILES | CC(N=C(CCC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | UMPMRWXLNICWKO-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketiminestricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundketiminecarbonyl groupcarboxylic acidiminetricarboxylic acid or derivativesorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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