| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:24 UTC |
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| Update Date | 2025-03-25 00:45:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152076 |
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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 | NC(CC(=O)O)CC(O)=NC(O)C(=O)O |
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| InChI Key | JCOGRNIITVZZEX-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanolaminesalpha hydroxy acids and derivativescarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfatty acidorganic 1,3-dipolar compoundhydroxy acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundalkanolamine |
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