| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:16 UTC |
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| Update Date | 2025-03-25 00:50:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181436 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO7 |
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| Molecular Mass | 273.0849 |
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| SMILES | O=C(O)CN=CC=C1CC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | OCNMBBVLIJSDKO-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 homomonocyclic compounds |
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| Alternative Parents | aldiminesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidiminepropargyl-type 1,3-dipolar organic compoundaldiminebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholcyclitol or derivativesorganic 1,3-dipolar compoundhydroxy acidcyclic alcoholorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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