| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:29 UTC |
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| Update Date | 2025-03-25 00:55:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211689 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22ClN3O4 |
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| Molecular Mass | 355.1299 |
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| SMILES | CC(=O)NCCC(=O)c1cc(Cl)ccc1NCCCC(N)C(=O)O |
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| InChI Key | TXNBUZFDEYNJDM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidsaryl alkyl ketonesaryl chloridesbenzoyl derivativescarboxylic acidschlorobenzeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidorganochloridebenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidearyl chloridechlorobenzenevinylogous amidesecondary aminecarboxamide groupsecondary aliphatic/aromatic aminearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneaminealkyl-phenylketone |
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