| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:57 UTC |
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| Update Date | 2025-03-25 00:54:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205698 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12N2O6 |
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| Molecular Mass | 220.0695 |
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| SMILES | NCCC(=O)ONC(CC(=O)O)C(=O)O |
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| InChI Key | FXXTTXLOTCQRHQ-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsbeta amino acids and derivativescarbonyl compoundscarboxylic acid saltscarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesbeta amino acid or derivativesorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic saltcarboxylic acid saltorganooxygen compound |
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