| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:34 UTC |
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| Update Date | 2025-03-25 00:52:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193376 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16ClNO3 |
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| Molecular Mass | 233.0819 |
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| SMILES | CCCCC=CC(NCC(=O)O)C(=O)Cl |
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| InChI Key | SNZKQYYGOPAUHG-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 | acyl chloridesamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidamino acidorganochloridesecondary amineorganohalogen compoundacyl halideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacyl chlorideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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