| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:33 UTC |
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| Update Date | 2025-03-21 18:30:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082716 |
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| Frequency | 46.8 |
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| Structure | |
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| Chemical Formula | C12H18N4O3 |
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| Molecular Mass | 266.1379 |
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| SMILES | NC(Cc1c[nH]cn1)C(=O)N1CCCC(C(=O)O)C1 |
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| InChI Key | JKPHQQJNEXTMQH-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 compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesn-acylpiperidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxideimidazoletertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidpiperidineorganoheterocyclic compoundazolealpha-amino acid amideazacycleheteroaromatic compoundcarboxamide groupn-acyl-piperidinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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