| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:03 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176346 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N3O6 |
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| Molecular Mass | 311.1117 |
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| SMILES | CC(O)C(N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1)C(N)=O |
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| InChI Key | MRZBEJNREKOKMU-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty amideshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compoundssecondary alcoholstetrahydropyridines |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidamino acidiminefatty amidepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholsecondary aliphatic amineazacycletetrahydropyridineorganic 1,3-dipolar compoundsecondary aminecarboxamide grouporganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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