| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:40:34 UTC |
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| Update Date | 2025-03-24 17:55:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01011793 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C4H5NO3 |
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| Molecular Mass | 115.0269 |
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| SMILES | COC(=O)C1NC1=O |
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| InChI Key | NWRXIQKTOWYQOT-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 acid esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidsazacyclic compoundsaziridinecarboxylic acidsaziridinonescarboxylic acid amideshydrocarbon derivativeslactamsmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl grouplactamaziridinoneorganic oxidemethyl esteraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid esterazacyclecarboxamide groupaziridinecarboxylic acidmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundaziridineorganooxygen compound |
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