| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:01 UTC |
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| Update Date | 2025-03-25 01:02:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253913 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H28N4O2 |
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| Molecular Mass | 296.2212 |
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| SMILES | CC(C)CC(O)C(Cc1c[nH]cn1)NC(=O)C(N)C(C)C |
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| InChI Key | BWTAECSVVJXSRK-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 | valine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouparomatic heteromonocyclic compoundfatty amideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolealcoholalpha-amino acid amideazacyclevaline or derivativesheteroaromatic compoundcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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