| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:31 UTC |
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| Update Date | 2025-03-21 18:40:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130693 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C9H11N5O3 |
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| Molecular Mass | 237.0862 |
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| SMILES | O=C(O)CCCNc1nc(=O)c2[nH]cnc2[nH]1 |
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| InChI Key | GELFVCNKWKOPLG-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidgamma amino acid or derivativespyrimidoneimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolevinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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