| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:35 UTC |
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| Update Date | 2025-03-21 18:38:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121383 |
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| Frequency | 21.4 |
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| Structure | |
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| Chemical Formula | C13H20N3O4+ |
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| Molecular Mass | 282.1448 |
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| SMILES | CC(=O)Nc1ccc[n+](CC(O)CCC(N)C(=O)O)c1 |
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| InChI Key | VVFZRURZEIDFAZ-UHFFFAOYSA-O |
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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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesn-acetylarylaminesorganic cationsorganic oxidesorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundheterocyclic fatty acidfatty acidn-arylamidemedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganoheterocyclic compoundacetamidealcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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