| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:37 UTC |
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| Update Date | 2025-03-21 18:38:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119123 |
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| Frequency | 42.6 |
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| Structure | |
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| Chemical Formula | C10H14N4O4 |
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| Molecular Mass | 254.1015 |
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| SMILES | CC(=O)C(NC(=O)C(N)Cc1cnc[nH]1)C(=O)O |
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| InChI Key | FPVRBKYQYORQMD-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 | 1,3-dicarbonyl compoundsalpha amino acid amidesalpha amino acidsazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylbeta-hydroxy ketonecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundfatty amidealpha-amino acid or derivativesbeta-keto acidketoneorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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