| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:55 UTC |
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| Update Date | 2025-03-21 17:59:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021855 |
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| Frequency | 182.2 |
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| Structure | |
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| Chemical Formula | C8H9N5O3 |
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| Molecular Mass | 223.0705 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(C(=O)CO)=N2 |
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| InChI Key | JVICLMQHGGAIMR-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 | alcohols and polyolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesketiminesketonesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | ketiminecarbonyl groupiminepyrimidonepyrimidinepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidepterinazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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