| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:03 UTC |
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| Update Date | 2025-03-21 18:05:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055185 |
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| Frequency | 74.4 |
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| Structure | |
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| Chemical Formula | C12H18N4O2 |
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| Molecular Mass | 250.143 |
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| SMILES | CC(=O)C1CCCN1C(=O)C(N)Cc1c[nH]cn1 |
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| InChI Key | XYLBIUREHVZVFD-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesketonesmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundn-acylpyrrolidineketoneorganic oxideimidazoletertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundazolealpha-amino acid amideazacycleheteroaromatic compoundcarboxamide grouporganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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