Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:51:17 UTC |
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Update Date | 2025-03-25 00:50:31 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02181460 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C12H19NO5S |
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Molecular Mass | 289.0984 |
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SMILES | O=C(O)CCCCC1SCC2C(O)CC(C(=O)O)N12 |
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InChI Key | RDRCIUDCXCMOGG-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 | alpha amino acids |
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Geometric Descriptor | aliphatic heteropolycyclic compounds |
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Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine carboxylic acidspyrrolothiazolessecondary alcoholsthiazolidinesthiohemiaminal derivatives |
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Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidmedium-chain hydroxy acidaliphatic heteropolycyclic compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidpyrrolidineorganoheterocyclic compoundalcoholazacyclen-alkylpyrrolidinepyrrolothiazoledialkylthioetherpyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
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