| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:25 UTC |
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| Update Date | 2025-03-25 01:01:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250353 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H7Cl2NO3 |
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| Molecular Mass | 186.9803 |
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| SMILES | O=C(O)CNC(O)C(Cl)Cl |
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| InChI Key | SIUPZKIHALXQDG-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 | alkyl chloridesamino acidscarbonyl compoundscarboxylic acidschlorohydrinsdialkylamineshemiaminalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidchlorohydrinamino acidalkyl chlorideorganochlorideorganohalogen compoundhemiaminalorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidealkanolaminesecondary aliphatic aminehalohydrinsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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