| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:47 UTC |
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| Update Date | 2025-03-21 18:02:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040395 |
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| Frequency | 85.6 |
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| Structure | |
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| Chemical Formula | C5H9NO2S |
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| Molecular Mass | 147.0354 |
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| SMILES | O=C(O)CC1CSCN1 |
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| InChI Key | YKTJZYDIAFXLFQ-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 | thia fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsthiazolidinesthiohemiaminal derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundhemithioaminalorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycledialkylthioethersecondary aminemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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