| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:05 UTC |
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| Update Date | 2025-03-25 00:46:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158193 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO6 |
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| Molecular Mass | 243.0743 |
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| SMILES | O=C(O)CN=C(O)CC1(O)CC(O)C=CC1=O |
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| InChI Key | NBAKMTCZWLHHSM-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 | acyloinscarboximidic acidscarboxylic acidscyclohexenoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstertiary alcohols |
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| Substituents | cyclohexenonecarboximidic acidcarbonyl groupcarboxylic acidcyclic ketonepropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholorganic 1,3-dipolar compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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