| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:37 UTC |
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| Update Date | 2025-03-25 00:53:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202648 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10N4O3 |
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| Molecular Mass | 198.0753 |
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| SMILES | O=C(O)CNC(=O)CCc1c[nH]nn1 |
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| InChI Key | YAZBWZCYJDNHJF-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestriazoles |
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| Substituents | fatty acyltriazolecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1,2,3-triazoleorganoheterocyclic compoundazoleazacycleheteroaromatic compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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