| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:05 UTC |
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| Update Date | 2025-03-21 18:38:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120163 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C9H10N2O6 |
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| Molecular Mass | 242.0539 |
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| SMILES | O=C(O)CN=C1C=C(C(=O)O)NC(C(=O)O)C1 |
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| InChI Key | XKDHHIFOSKEWKM-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketiminestetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | ketiminecarbonyl groupcarboxylic acidamino acidiminetricarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycletetrahydropyridineorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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