| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:09 UTC |
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| Update Date | 2025-03-25 00:58:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233636 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO4 |
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| Molecular Mass | 185.0688 |
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| SMILES | CCC1=C(O)C(C(=O)OC)NC1=O |
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| InChI Key | MYENZRGPNHUOQB-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 | alpha amino acidsazacyclic compoundscarbonyl compoundshydrocarbon derivativeslactamsmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroline 2-carboxylic acidssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | carbonyl grouplactamorganic oxidemethyl esteraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid esterazacyclepyrroline carboxylic acid or derivativescarboxamide grouppyrroline 2-carboxylic acidsecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinepyrroline carboxylic acidcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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