| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:39 UTC |
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| Update Date | 2025-03-25 00:57:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223693 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17ClN6O3 |
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| Molecular Mass | 340.1051 |
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| SMILES | N=C(NCCC(=O)NCC(=O)O)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | MYIFTUDOVWANTH-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 | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-arylbiguanidesacyl glycinesalpha amino acidsaryl chloridesbeta amino acids and derivativescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzeneshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochloridealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-arylbiguaniden-acyl-alpha amino acid or derivativesaryl chloridechlorobenzenen-acyl-alpha-amino acidcarboximidamidecarboxamide groupbeta amino acid or derivativesn-acylglycinearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidearylbiguanidemonocarboxylic acid or derivativesorganic oxygen compoundhybrid peptidehydrocarbon derivativebenzenoidorganic nitrogen compoundbiguanidehalobenzeneorganooxygen compound |
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