| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:24 UTC |
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| Update Date | 2025-03-21 18:02:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037130 |
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| Frequency | 95.0 |
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| Structure | |
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| Chemical Formula | C13H16N4O4 |
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| Molecular Mass | 292.1172 |
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| SMILES | O=C(O)C1CCCC2C(=O)NC(Cc3cnc[nH]3)C(=O)N12 |
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| InChI Key | WELWHVQEURBBPN-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 | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2,5-dioxopiperazinesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdipeptidesheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsmonocarboxylic acids and derivativesn-alkylpiperazinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperazinopiperidinespiperidinecarboxylic acidspiperidinessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidalpha-amino acid or derivatives2,5-dioxopiperazinecarboxylic acid derivativeorganic oxidedioxopiperazinepiperazinearomatic heteropolycyclic compoundimidazoletertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidpiperidinepiperazino-1,2-a-piperidineorganoheterocyclic compoundazolecyclic hybrid peptideazacyclen-alkylpiperazineheteroaromatic compoundcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compound1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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