| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:09 UTC |
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| Update Date | 2025-03-25 00:59:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238165 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23NO4S |
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| Molecular Mass | 289.1348 |
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| SMILES | O=C(O)CCCCC1CSC(CCCCC(=O)O)N1 |
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| InChI Key | IFZFVYKNXPWBRV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundsthiazolidinesthiohemiaminal derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidcarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundhemithioaminalorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundsecondary aliphatic amineazacycledialkylthioethersecondary amineorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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