| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:00:58 UTC |
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| Update Date | 2025-03-21 22:03:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00487438 |
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| Frequency | 3.5 |
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| Structure | |
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| Chemical Formula | C5H9N2OS+ |
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| Molecular Mass | 145.043 |
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| SMILES | C[N+](=O)CCCN=C=S |
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| InChI Key | UNSJQLCZDMIVBO-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 | aminoxideshydrocarbon derivativesorganic cationsorganic oxidesorganic oxoazanium compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundisothiocyanateorganic oxideorganic oxygen compoundaminoxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic oxoazanium |
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