| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:05 UTC |
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| Update Date | 2025-03-21 18:35:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105650 |
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| Frequency | 25.6 |
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| Structure | |
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| Chemical Formula | C19H30N3O8+ |
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| Molecular Mass | 428.2027 |
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| SMILES | CC(O)C(=O)Cc1c(O)c[n+](CC(O)CCC(N)C(=O)O)cc1CCC(N)C(=O)O |
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| InChI Key | BMKOCBSLRURIOS-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 | acyloinsalpha-hydroxy ketonesamino fatty acidsazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethylpyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidpolyhalopyridinefatty acidalpha-hydroxy ketonemedium-chain hydroxy acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridineamino fatty acidpyridineorganic oxygen compoundacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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