| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:34 UTC |
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| Update Date | 2025-03-25 00:45:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152457 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N3O6 |
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| Molecular Mass | 311.1117 |
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| SMILES | NC(CCCc1c(O)ccnc1C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | BMSODKXBSUVBBJ-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-halopyridines2-heteroaryl carboxamidesalpha amino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativessecondary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativesfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidpolyhalopyridinefatty acid2-heteroaryl carboxamidemedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acid2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupamino fatty acidn-acylglycinesecondary carboxylic acid amidepyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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