| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:09 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149119 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO2S |
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| Molecular Mass | 241.1136 |
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| SMILES | O=C(O)CCC1SCC2C1C1CCCCN12 |
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| InChI Key | PIRMAOJIRLWDBN-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 heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsazetidinescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinesthiolanestrialkylamines |
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| Substituents | thiolanecarbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundazacycledialkylthioethertertiary aliphatic amineazetidinemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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