| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:42 UTC |
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| Update Date | 2025-03-25 00:53:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198248 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N4O5 |
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| Molecular Mass | 256.0808 |
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| SMILES | Nc1nc(N2CC(O)C(O)C2C(=O)O)cc(=O)[nH]1 |
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| InChI Key | HESBNMNNCYCUPJ-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsamino acidsaminopyrimidines and derivativesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonespyrrolidine carboxylic acidssecondary alcoholsvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidonepyrimidinebeta-hydroxy acidorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylaminepyrrolidineimidolactamorganoheterocyclic compound1,2-diolproline or derivativesalcoholvinylogous amideazacycleheteroaromatic compoundhydroxy acidaminopyrimidinemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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