| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:01 UTC |
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| Update Date | 2025-03-25 00:54:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203571 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO7 |
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| Molecular Mass | 247.0692 |
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| SMILES | O=C(O)CN=C(CC(=O)O)CC(O)CC(=O)O |
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| InChI Key | JKIFSCKPQXNRDX-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 | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssecondary ketiminestricarboxylic acids and derivatives |
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| Substituents | alcoholaliphatic acyclic compoundketiminecarbonyl groupcarboxylic acidiminetricarboxylic acid or derivativesorganic 1,3-dipolar compoundhydroxy acidpropargyl-type 1,3-dipolar organic compoundsecondary ketiminebeta-hydroxy acidorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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