| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:13 UTC |
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| Update Date | 2025-03-25 00:47:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165252 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO3 |
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| Molecular Mass | 171.0895 |
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| SMILES | CC=C(C)C(=O)CC(N)C(=O)O |
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| InChI Key | TUPADOBMFPJOAK-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 | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesamino fatty acidsbranched fatty acidscarboxylic acidsenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketoneketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonealpha-branched alpha,beta-unsaturated-ketoneamino fatty acidbranched fatty acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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