Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:29:48 UTC |
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Update Date | 2025-03-21 18:41:18 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00133614 |
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Frequency | 18.9 |
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Structure | |
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Chemical Formula | C15H25N4O6+ |
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Molecular Mass | 357.1769 |
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SMILES | Nc1c(O)c[n+](CC(O)CCC(N)C(=O)O)cc1CCC(N)C(=O)O |
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InChI Key | ZDUNSMZQNSBQOR-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 | amino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic cationsorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidheterocyclic fatty acidpolyhalopyridinefatty acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridineamino fatty acidpyridineorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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