| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:01 UTC |
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| Update Date | 2025-03-25 00:54:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208156 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H23N2O2+ |
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| Molecular Mass | 251.1754 |
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| SMILES | CC(C)c1cccc[n+]1CCCCC(N)C(=O)O |
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| InChI Key | HNUFGXRCANBBFT-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 | 2-halopyridinesamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesmedium-chain fatty acidsmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid2-halopyridineorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridineamino fatty acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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