| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:43 UTC |
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| Update Date | 2025-03-21 18:30:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080748 |
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| Frequency | 36.0 |
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| Structure | |
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| Chemical Formula | C12H19N3O9 |
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| Molecular Mass | 349.1121 |
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| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)OC1NC(=O)CC(N)C(=O)O |
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| InChI Key | WNXPPAGGJXFOIP-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 | asparagine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesn-acyl aminesn-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidalpha-hydroxy acidfatty amidefatty acidpyran carboxylic acidn-glucuronideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalhydroxy fatty acidasparagine or derivativesoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupn-acyl-amineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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