| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:32 UTC |
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| Update Date | 2025-03-21 18:33:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096905 |
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| Frequency | 44.4 |
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| Structure | |
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| Chemical Formula | C10H13N3O4 |
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| Molecular Mass | 239.0906 |
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| SMILES | O=C(O)C1CC(O)CN1C(=O)Cc1cnc[nH]1 |
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| InChI Key | DRUGZMZKDZNKFX-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidssecondary alcoholstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundn-acylpyrrolidineorganic oxideimidazolepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundazoleproline or derivativesalcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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