| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:54 UTC |
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| Update Date | 2025-03-25 00:46:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157792 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO5S |
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| Molecular Mass | 287.0827 |
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| SMILES | O=C(O)CCCCC1SCN2C(C(=O)O)CC(=O)C12 |
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| InChI Key | YWHJEFKHEJQLRH-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 compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesketonesmedium-chain fatty acidsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxoprolinespyrrolespyrrolidine carboxylic acidspyrrolidine-3-onespyrrolothiazolesthiazolidinesthiohemiaminal derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acid3-pyrrolidoneheterocyclic fatty acidfatty acidketonealiphatic heteropolycyclic compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundmedium-chain fatty acidpyrrolidinepyrrolidoneorganoheterocyclic compoundoxoprolineazacyclen-alkylpyrrolidinepyrrolothiazoledialkylthioetherpyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
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