| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:52 UTC |
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| Update Date | 2025-03-21 18:39:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124331 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C7H10N4O4 |
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| Molecular Mass | 214.0702 |
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| SMILES | Nc1nc[nH]c1C(=O)NC(CO)C(=O)O |
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| InChI Key | PKDNSOXWLJOEIS-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 | 2-heteroaryl carboxamidesalpha amino acidsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarbonylimidazolescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary alcoholsprimary aminessecondary carboxylic acid amidesserine and derivativesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid2-heteroaryl carboxamidebeta-hydroxy acidorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazole-4-carbonyl groupprimary alcoholimidolactamorganoheterocyclic compoundazolealcoholvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxy acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundserine or derivativesamineorganooxygen compound |
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