| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:02 UTC |
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| Update Date | 2025-03-25 00:46:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158085 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO5 |
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| Molecular Mass | 227.0794 |
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| SMILES | O=C(O)CN=CC=C1CCC(CC(=O)O)O1 |
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| InChI Key | HYJOSMNIUUIAJQ-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 | aldiminescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidtetrahydrofuranimineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundoxacyclealdimineorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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