| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:02 UTC |
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| Update Date | 2025-03-21 18:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036217 |
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| Frequency | 148.9 |
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| Structure | |
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| Chemical Formula | C9H10N4O4 |
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| Molecular Mass | 238.0702 |
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| SMILES | CC(O)C(=O)C1=Nc2c([nH]c(=O)[nH]c2=O)NC1 |
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| InChI Key | PINNBMAOEJRIQL-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 | pteridines and derivatives |
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| Direct Parent | pteridines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acyloinsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesketiminesketoneslactamsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alcoholssecondary alkylarylaminesvinylogous amides |
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| Substituents | ketiminecarbonyl grouplactamiminepyrimidonepteridinepyrimidinepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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