| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:25 UTC |
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| Update Date | 2025-03-25 00:45:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152092 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O7 |
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| Molecular Mass | 288.0958 |
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| SMILES | NC(CC(=O)O)C(=O)NC(CC1CCC(=O)O1)C(=O)O |
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| InChI Key | YHKRVDFLYNYAPE-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsaspartic acid and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidestetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amidetricarboxylic acid or derivativesalpha-amino acid or derivativeslactoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidtetrahydrofurancarboxamide groupn-acyl-aminegamma butyrolactonealpha-dipeptideoxacyclesecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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