| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:30 UTC |
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| Update Date | 2025-03-21 18:35:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104216 |
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| Frequency | 26.0 |
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| Structure | |
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| Chemical Formula | C9H13N3O6 |
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| Molecular Mass | 259.0804 |
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| SMILES | CC(O)C(NC(=O)C1CC(=O)NC(=O)N1)C(=O)O |
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| InChI Key | CUURTKPJLDFBRQ-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 acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdiazinanesdicarboximidesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesn-acyl ureasn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidfatty acidpyrimidonealpha-amino acid or derivativespyrimidine1,3-diazinanebeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty aciddicarboximideureideorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholn-acyl ureacarbonic acid derivativealpha-amino acid amideazacyclen-acyl-alpha-amino acidhydroxy acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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