| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:27 UTC |
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| Update Date | 2025-03-25 00:48:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165790 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9NO2S2 |
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| Molecular Mass | 191.0075 |
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| SMILES | CC1=NC(CCC(=O)O)SS1 |
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| InChI Key | KCCZQEBUTYEZCH-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 acidsdithiazolesfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidazacycleorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic disulfidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound1,2,4-dithiazoleorganoheterocyclic compoundorganooxygen compound |
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