| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:51 UTC |
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| Update Date | 2025-03-25 00:57:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226297 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15ClN2O4 |
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| Molecular Mass | 250.072 |
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| SMILES | CC(O)C(N)C(=O)N1CC(Cl)CC1C(=O)O |
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| InChI Key | VASXVLQPELFKDS-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chloridesalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidssecondary alcoholstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidalkyl chlorideorganochloriden-acylpyrrolidinealpha-amino acid or derivativesorganohalogen compoundorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidepyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalcoholalpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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