| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:06 UTC |
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| Update Date | 2025-03-21 18:35:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105671 |
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| Frequency | 25.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O5 |
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| Molecular Mass | 280.1059 |
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| SMILES | NC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)O |
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| InChI Key | JIMLDJNLXLMGLX-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 | glutamine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzyloxycarbonylscarbamate esterscarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | benzyloxycarbonylprimary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidglutamine or derivativesfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonic acid derivativecarbamic acid estercarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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