| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:39 UTC |
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| Update Date | 2025-03-25 00:51:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189122 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O3 |
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| Molecular Mass | 251.127 |
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| SMILES | CC(C)CCC(NC(=O)c1ccncn1)C(=O)O |
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| InChI Key | MDWRGMKTMFJBHL-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsamino fatty acidsazacyclic compoundsbranched fatty acidscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidinecarboxylic acids and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acid2-heteroaryl carboxamidepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupamino fatty acidbranched fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesorganooxygen compound |
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