| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:56 UTC |
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| Update Date | 2025-03-21 18:33:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097901 |
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| Frequency | 39.2 |
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| Structure | |
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| Chemical Formula | C9H12N4O4 |
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| Molecular Mass | 240.0859 |
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| SMILES | CC(=O)NC(CC(=O)c1[nH]cnc1N)C(=O)O |
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| InChI Key | HRTYWKDUMOFNDD-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidsaryl alkyl ketonesazacyclic compoundscarbonylimidazolescarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acidketoneorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazole-4-carbonyl groupimidolactamorganoheterocyclic compoundacetamideazolevinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupgamma-keto acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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