| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:47 UTC |
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| Update Date | 2025-03-25 00:50:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182606 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15NO6 |
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| Molecular Mass | 245.0899 |
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| SMILES | O=CC(O)C(O)C(O)C1=NC(C(=O)O)CCC1 |
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| InChI Key | WMMMDJUVEVDCIE-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 | alpha-hydroxyaldehydesazacyclic compoundsbeta-hydroxy aldehydescarboxylic acidshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstetrahydropyridines |
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| Substituents | ketiminebeta-hydroxy aldehydecarbonyl groupcarboxylic acidiminemonosaccharidepropargyl-type 1,3-dipolar organic compoundsaccharideorganic oxidealpha-hydroxyaldehydealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholazacyclealdehydetetrahydropyridineorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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