| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:29 UTC |
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| Update Date | 2025-03-25 01:01:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248230 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N3O3 |
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| Molecular Mass | 237.1113 |
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| SMILES | Cc1cccnc1CC(N)C(=O)NCC(=O)O |
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| InChI Key | PEHQJKFNFGILRM-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 | 2-halopyridinesalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdipeptidesfatty amidesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinefatty amidealpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundalpha-amino acid amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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