| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:33 UTC |
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| Update Date | 2025-03-25 00:49:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172867 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO4 |
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| Molecular Mass | 187.0845 |
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| SMILES | CCC=CC(=O)OCC(N)C(=O)O |
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| InChI Key | NEJKEHSCYSPZHN-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 acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | enoate esterfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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