| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:10 UTC |
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| Update Date | 2025-03-21 18:34:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100904 |
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| Frequency | 27.1 |
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| Structure | |
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| Chemical Formula | C9H15NO4 |
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| Molecular Mass | 201.1001 |
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| SMILES | CC(=O)NC(C(=O)O)C(=O)CC(C)C |
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| InChI Key | RTUIJBMAOXNXJN-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 | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacetamidesalpha amino acidsamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativesbranched fatty acidscarboxylic acidsfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamiden-acyl-alpha-amino acidcarboxamide groupamino fatty acidbranched fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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