| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:33 UTC |
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| Update Date | 2025-03-25 00:57:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223450 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13N5O5 |
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| Molecular Mass | 295.0917 |
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| SMILES | N=c1[nH]c(=O)c2c(CC(=O)NC(CO)C(=O)O)c[nH]c2[nH]1 |
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| InChI Key | GTEMTFVRCTUZSM-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspyrimidonespyrrolespyrrolo[2,3-d]pyrimidinessecondary carboxylic acid amidesserine and derivativesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrimidonepyrimidinepyrrolopyrimidinebeta-hydroxy acidorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxy acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundserine or derivativesorganooxygen compound |
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