| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:18 UTC |
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| Update Date | 2025-03-21 18:35:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106180 |
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| Frequency | 25.4 |
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| Structure | |
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| Chemical Formula | C9H13N3O4 |
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| Molecular Mass | 227.0906 |
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| SMILES | NC(Cc1nc(CCC(=O)O)c[nH]1)C(=O)O |
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| InChI Key | FSVJGBCTDRMHTI-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundimidazoleorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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