| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:35 UTC |
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| Update Date | 2025-03-25 00:56:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221221 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O5 |
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| Molecular Mass | 214.059 |
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| SMILES | O=C(O)CC(N=C1CCNC1=O)C(=O)O |
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| InChI Key | QWEWNNROMPANCR-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolidine-2-onessecondary carboxylic acid amidessecondary ketimines |
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| Substituents | fatty acyl2-pyrrolidoneketiminecarbonyl grouplactamcarboxylic acidheterocyclic fatty acidiminefatty acidpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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