| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:21 UTC |
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| Update Date | 2025-03-21 18:06:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060627 |
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| Frequency | 51.6 |
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| Structure | |
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| Chemical Formula | C6H13NOS2 |
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| Molecular Mass | 179.0439 |
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| SMILES | C[SH](C)(=O)CCCN=C=S |
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| InChI Key | IDSFBVYNUPVPGO-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 compounds |
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| Substituents | aliphatic acyclic compoundisothiocyanateorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiol |
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