| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:27 UTC |
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| Update Date | 2025-03-21 18:02:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037257 |
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| Frequency | 94.6 |
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| Structure | |
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| Chemical Formula | C5H9NO2S2 |
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| Molecular Mass | 179.0075 |
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| SMILES | O=[SH](=O)CCCCN=C=S |
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| InChI Key | FWSYVUNNEYDXTM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | isothiocyanates |
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| Subclass | isothiocyanates |
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| Direct Parent | isothiocyanates |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundss-alkylsulfenates |
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| Substituents | aliphatic acyclic compoundisothiocyanates-alkylsulfenateorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiol |
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