| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:33 UTC |
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| Update Date | 2025-03-21 18:28:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070675 |
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| Frequency | 42.5 |
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| Structure | |
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| Chemical Formula | C7H9NO5 |
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| Molecular Mass | 187.0481 |
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| SMILES | NC(C(=O)O)C(=O)C1CCC(=O)O1 |
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| InChI Key | MGCDKYLTHDMACL-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 | 1,3-dicarbonyl compoundsalpha-acyloxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstetrahydrofurans |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidalpha-acyloxy ketonebeta-keto acidketonelactoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundtetrahydrofurangamma butyrolactoneoxacycleorganic oxygen compoundketo acidcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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