| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:24 UTC |
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| Update Date | 2025-03-25 00:47:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161071 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO8 |
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| Molecular Mass | 251.0641 |
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| SMILES | NCC(=O)OC1OC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | SHIPBKQIGLVBLH-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-diolsacetalsalpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidpyran carboxylic acidorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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