| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:38 UTC |
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| Update Date | 2025-03-25 00:54:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207266 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N6O5 |
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| Molecular Mass | 308.0869 |
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| SMILES | Nc1nc2n(CCC(N)C(=O)O)cc(C(=O)O)nc-2c(=O)n1 |
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| InChI Key | VWDOEUSHJHVQNK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterin carboxylates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspyrazine carboxylic acidspyrimidonesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidpyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amideazacycleheteroaromatic compoundpterin-6-carboxylateorganic oxygen compoundpyrazinedicarboxylic acid or derivativespyrazine carboxylic acidpyrazine carboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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