| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:43 UTC |
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| Update Date | 2025-03-25 00:48:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170944 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO8 |
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| Molecular Mass | 265.0798 |
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| SMILES | CNCC(=O)OC1C(O)OC(C(=O)O)C(O)C1O |
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| InChI Key | FRCOXDUOWLFDPY-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 acyl ester of carbohydrates |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsamino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativesamino acidmonosaccharidepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholsecondary aliphatic aminepyran carboxylic acid or derivativeshydroxy acidsecondary amineoxacycleorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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