| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:25 UTC |
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| Update Date | 2025-03-21 18:03:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041905 |
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| Frequency | 98.8 |
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| Structure | |
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| Chemical Formula | C10H14N4O3 |
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| Molecular Mass | 238.1066 |
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| SMILES | NC(Cc1c[nH]cn1)C(=O)N1CCC1C(=O)O |
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| InChI Key | WRHOKSGVLXGFPD-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazetidinecarboxylic acidalpha-amino acid or derivativesorganic oxideimidazoletertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolealpha-amino acid amideazacycleheteroaromatic compoundcarboxamide groupazetidinealpha-dipeptidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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