| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:49 UTC |
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| Update Date | 2025-03-25 00:47:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164270 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO4 |
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| Molecular Mass | 185.0688 |
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| SMILES | CC(O)C(=O)C1C=NC(C(=O)O)C1 |
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| InChI Key | ZGKMTWVQWLBOSV-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 | acyloinsazacyclic compoundscarboxylic acidshydrocarbon derivativesiminesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroline 2-carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidiminepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholazacyclepyrroline carboxylic acid or derivativesorganic 1,3-dipolar compoundpyrroline 2-carboxylic acidmonocarboxylic acid or derivativespyrrolineorganic oxygen compoundpyrroline carboxylic acidacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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