| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:02 UTC |
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| Update Date | 2025-03-21 18:32:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093289 |
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| Frequency | 29.9 |
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| Structure | |
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| Chemical Formula | C9H9N5O5 |
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| Molecular Mass | 267.0604 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(C(=O)C(O)C(=O)O)=N2 |
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| InChI Key | FAEUYBIREOEWQI-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 | 1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesamino acidsazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alcoholssecondary alkylarylaminesvinylogous amides |
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| Substituents | beta-hydroxy ketoneketiminecarbonyl groupcarboxylic acidamino acid or derivativesamino acidiminealpha-hydroxy acidmonosaccharidepyrimidonecarboxylic acid derivativebeta-keto acidpyrimidinepropargyl-type 1,3-dipolar organic compoundketonesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidepterinazacycleheteroaromatic compoundorganic 1,3-dipolar compoundhydroxy acidsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundketo acidacyloinsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compound1,3-dicarbonyl compoundamineorganooxygen compound |
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