| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:43:58 UTC |
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| Update Date | 2025-03-24 21:45:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01881681 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C5H7NO2S |
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| Molecular Mass | 145.0197 |
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| SMILES | O=C(O)CC1=NCSC1 |
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| InChI Key | LTKCGBYAKFMGDW-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiazolines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidmeta-thiazolineazacycleiminedialkylthioetherorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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