| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:30 UTC |
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| Update Date | 2025-03-21 18:32:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091981 |
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| Frequency | 30.5 |
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| Structure | |
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| Chemical Formula | C12H14ClN3O4 |
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| Molecular Mass | 299.0673 |
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| SMILES | N=C(Nc1ccc(Cl)cc1)N(CCC(=O)O)CC(=O)O |
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| InChI Key | JWVPIDSIHRZSQO-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzenesdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenecarboximidamidearyl halidearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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