| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:31 UTC |
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| Update Date | 2025-03-21 18:41:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135224 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C11H15N3O4 |
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| Molecular Mass | 253.1063 |
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| SMILES | NC(Cc1cn(C2C=CC(O)C2O)cn1)C(=O)O |
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| InChI Key | DPEKYAMMIJTRTM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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