| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:33 UTC |
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| Update Date | 2025-03-21 18:35:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104332 |
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| Frequency | 26.0 |
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| Structure | |
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| Chemical Formula | C9H16N2O7 |
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| Molecular Mass | 264.0958 |
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| SMILES | NC(CC(=O)O)C(=O)NC1OC(CO)C(O)C1O |
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| InChI Key | CHTKXCKRPZFWQZ-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidfatty amidemonosaccharidefatty acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcoholorganoheterocyclic compoundalcoholalpha-amino acid amidetetrahydrofurancarboxamide groupn-acyl-amineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundaspartic acid or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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