| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:13 UTC |
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| Update Date | 2025-03-25 00:50:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181304 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O7 |
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| Molecular Mass | 314.1114 |
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| SMILES | O=C(O)CN=C(O)CCC=C1CC(C(=O)O)NC(C(=O)O)C1 |
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| InChI Key | IEHBLIIDBCLMQS-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboximidic acidscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinespropargyl-type 1,3-dipolar organic compoundstricarboxylic acids and derivatives |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidpiperidineorganoheterocyclic compoundsecondary aliphatic amineazacycleorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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