| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:54 UTC |
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| Update Date | 2025-03-21 17:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010585 |
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| Frequency | 443.6 |
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| Structure | |
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| Chemical Formula | C8H7N5O4 |
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| Molecular Mass | 237.0498 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(C(=O)C(=O)O)=N2 |
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| InChI Key | VKUQJWKJGGHNBY-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 | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha-keto acids and derivativesamino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | ketiminecarbonyl groupcarboxylic acidamino acid or derivativesamino acidiminepyrimidonecarboxylic acid derivativepyrimidinepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundvinylogous amidepterinazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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