| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:30 UTC |
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| Update Date | 2025-03-25 00:53:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197752 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N4O |
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| Molecular Mass | 250.1794 |
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| SMILES | CCC(C)C(N)C(=O)NC(N)Cc1ccccn1 |
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| InChI Key | ZSYVATOMMUFJSI-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 | isoleucine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouparomatic heteromonocyclic compoundfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineisoleucine or derivativesorganoheterocyclic compoundalpha-amino acid amideazacycleheteroaromatic compoundmethylpyridinecarboxamide groupn-acyl-aminesecondary carboxylic acid amidepyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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