| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:22 UTC |
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| Update Date | 2025-03-25 00:54:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208997 |
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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)=CC(=O)CNCC(=O)O |
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| InChI Key | PXOOACUZMBCTSW-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 compoundsamino acidscarboxylic acidsdialkylaminesenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidamino acidsecondary aminealpha,beta-unsaturated ketoneketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundamineenone |
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