| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:22 UTC |
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| Update Date | 2025-03-25 00:59:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238643 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O7 |
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| Molecular Mass | 262.0801 |
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| SMILES | O=C(O)CNC(=O)CCC(NC(=O)CO)C(=O)O |
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| InChI Key | QRSBHPICEWUFDP-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolsalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdipeptidesfatty acids and conjugatesglutamine and derivativeshydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidglutamine or derivativesfatty amidefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholcarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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