| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:39 UTC |
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| Update Date | 2025-03-25 00:53:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202712 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10ClNO5 |
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| Molecular Mass | 223.0248 |
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| SMILES | O=C(O)CN=C(O)CCC(Cl)C(=O)O |
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| InChI Key | JXHOWSMQLMTNLF-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 chloridesalpha-halocarboxylic acidscarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativeshalogenated fatty acidshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | alpha-halocarboxylic acid or derivativesfatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidalkyl chlorideorganochloridefatty acidalpha-halocarboxylic acidorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidehalogenated fatty acidorganic 1,3-dipolar compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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