| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:25 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199936 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N5O3 |
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| Molecular Mass | 251.1018 |
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| SMILES | Cn1cnc2c(=O)nc(NCCCC(=O)O)[nH]c21 |
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| InChI Key | XLBNTJQCTKVHQW-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 derivativesn-substituted imidazolesorganic 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 compoundazolen-substituted imidazolevinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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