| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:34 UTC |
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| Update Date | 2025-03-21 17:58:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014462 |
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| Frequency | 304.8 |
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| Structure | |
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| Chemical Formula | C8H15NO3 |
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| Molecular Mass | 173.1052 |
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| SMILES | COC(=O)C(NC(C)=O)C(C)C |
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| InChI Key | KCHNPFJMSOGXIT-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acid estersalpha amino acidscarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouporganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidealpha-amino acid estern-acyl-alpha-amino acidvaline or derivativescarboxamide groupsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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