| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:31 UTC |
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| Update Date | 2025-03-25 01:01:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248284 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H7ClN2O2 |
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| Molecular Mass | 150.0196 |
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| SMILES | NC(=O)CC(N)C(=O)Cl |
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| InChI Key | FXQPNRCRRSVHHN-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 | asparagine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl chloridesalpha amino acidsbeta amino acids and derivativescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl grouporganochloridefatty amidecarboxamide grouporganohalogen compoundacyl halidebeta amino acid or derivativesorganic oxideorganic oxygen compoundacyl chlorideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineasparagine or derivativesorganic nitrogen compoundorganooxygen compound |
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