| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:30 UTC |
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| Update Date | 2025-03-21 18:40:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128266 |
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| Frequency | 29.1 |
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| Structure | |
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| Chemical Formula | C10H13N3O6 |
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| Molecular Mass | 271.0804 |
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| SMILES | O=C(CC(O)C(=O)O)NC(Cc1c[nH]cn1)C(=O)O |
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| InChI Key | KGXQGKWBEAFXIK-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 | alpha amino acidsalpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidfatty amideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolealcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxy acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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