| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:42 UTC |
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| Update Date | 2025-03-25 01:01:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248714 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21ClN6O2 |
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| Molecular Mass | 328.1415 |
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| SMILES | N=C(Nc1ccc(Cl)cc1)NC(N)NCCCC(N)C(=O)O |
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| InChI Key | LUOYKZVCVZKRKN-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 | amino acidsaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzenesdialkylaminesguanidineshydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsortho amidesorthocarboxylic acid derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidortho amideamino acidguanidineimineorganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorthocarboxylic acid derivativearyl chloridechlorobenzenesecondary aliphatic aminecarboximidamidesecondary aminearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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