| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:04 UTC |
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| Update Date | 2025-03-25 00:45:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151295 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N5O4 |
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| Molecular Mass | 253.0811 |
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| SMILES | Cn1c(=O)[nH]c2[nH]c(NCCC(=O)O)nc(=O)c21 |
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| InChI Key | ITSNSSQVOUIMST-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidpyrimidoneimidazopyrimidinepurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundsecondary aminebeta amino acid or derivativessecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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