| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:17 UTC |
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| Update Date | 2025-03-25 00:47:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165392 |
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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 | CCC(=O)C(C)=CNCC(=O)O |
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| InChI Key | HBBSXWGUELFHLA-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 acidscarboxylic acidsdialkylaminesenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsvinylogous amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidalpha,beta-unsaturated ketoneketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonealpha-branched alpha,beta-unsaturated-ketonevinylogous amidesecondary aliphatic aminesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundamine |
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