| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:32 UTC |
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| Update Date | 2025-03-21 18:34:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099340 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C5H8ClNO2 |
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| Molecular Mass | 149.0244 |
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| SMILES | O=C(O)C1CC(Cl)CN1 |
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| InChI Key | UYZNMRJCNSDDFV-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 | proline and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chloridesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundspyrrolidine carboxylic acids |
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| Substituents | carbonyl groupcarboxylic acidamino acidalkyl chlorideorganochlorideorganohalogen compoundorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidepyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic amineazacyclesecondary aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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