| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:35:32 UTC |
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| Update Date | 2025-03-21 18:46:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00146855 |
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| Frequency | 26.5 |
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| Structure | |
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| Chemical Formula | C7H13NO4 |
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| Molecular Mass | 175.0845 |
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| SMILES | COCCCC(O)=NCC(=O)O |
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| InChI Key | VKXPJHSLDGBTDG-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 compoundscarboximidic acidscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupethercarboxylic acidorganic 1,3-dipolar compounddialkyl etherpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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