| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:49 UTC |
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| Update Date | 2025-03-25 00:48:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166649 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N6O3 |
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| Molecular Mass | 306.144 |
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| SMILES | CC(=O)NCCC(=O)NCCc1c[nH]c2[nH]c(=N)[nH]c(=O)c12 |
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| InChI Key | PUBTXAOSPGLGDQ-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonespyrrolespyrrolo[2,3-d]pyrimidinessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactampyrimidonepyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundacetamidevinylogous amideazacycleheteroaromatic compoundcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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