| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:54 UTC |
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| Update Date | 2025-03-21 18:06:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064273 |
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| Frequency | 47.9 |
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| Structure | |
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| Chemical Formula | C12H18N6O3 |
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| Molecular Mass | 294.144 |
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| SMILES | N=c1[nH]c(=O)c2c(CNCCCC(N)C(=O)O)c[nH]c2[nH]1 |
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| InChI Key | JPIUBOLGMVDMTJ-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 acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonespyrrolespyrrolo[2,3-d]pyrimidinesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acidpyrimidonepyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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