| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:58 UTC |
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| Update Date | 2025-03-21 18:38:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119896 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C12H19N3O3 |
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| Molecular Mass | 253.1426 |
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| SMILES | CC(C)CC(NC(=O)Cc1cn(C)cn1)C(=O)O |
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| InChI Key | MAVMABRDLVCMEJ-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 | leucine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxideimidazoleleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolen-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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