| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:24 UTC |
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| Update Date | 2025-03-25 00:56:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220789 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14ClNO5 |
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| Molecular Mass | 263.0561 |
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| SMILES | O=C(O)CN=C(O)CCCCC=C(Cl)C(=O)O |
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| InChI Key | MEYYNSGJUDHUJY-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 | alpha-halocarboxylic acidscarbonyl compoundscarboximidic acidscarboxylic acidschloroalkenesdicarboxylic acids and derivativeshalogenated fatty acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsunsaturated fatty acidsvinyl chlorides |
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| Substituents | alpha-halocarboxylic acid or derivativesfatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidorganochloridefatty acidalpha-halocarboxylic acidorganohalogen compoundmedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundunsaturated fatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhalogenated fatty acidchloroalkeneorganic 1,3-dipolar compoundorganic oxygen compoundvinyl halidehaloalkenedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundvinyl chlorideorganooxygen compound |
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