| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:34 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184308 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N3O5 |
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| Molecular Mass | 255.0855 |
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| SMILES | NC(CC(=O)c1nc(CCC(=O)O)c[nH]1)C(=O)O |
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| InChI Key | VQUYHFAAQAZWTJ-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 | aryl alkyl ketonesazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundketoneorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundgamma-keto acidorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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