| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:00 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155846 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N2OS+ |
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| Molecular Mass | 237.1056 |
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| SMILES | C[N+](C)(C)CC(O)c1ccc(N=C=S)cc1 |
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| InChI Key | GDJDVFFUBAGUHQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | quaternary ammonium salts |
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| Direct Parent | cholines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsaminesaromatic alcoholsbenzene and substituted derivativeshydrocarbon derivativesisothiocyanatesorganic cationsorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | aromatic alcoholalcoholisothiocyanatemonocyclic benzene moietytetraalkylammonium salt1,2-aminoalcoholorganosulfur compoundaromatic homomonocyclic compoundorganic oxygen compoundcholinesecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic cationorganic saltamineorganooxygen compound |
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