| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:22 UTC |
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| Update Date | 2025-03-21 18:06:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065407 |
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| Frequency | 46.8 |
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| Structure | |
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| Chemical Formula | C9H18N3OS+ |
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| Molecular Mass | 216.1165 |
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| SMILES | C[N+](C)(C)C(CO)Cc1c[nH]c(=S)[nH]1 |
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| InChI Key | DMLJHWWPFLOHMX-UHFFFAOYSA-O |
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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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsaminesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesorganic cationsorganic saltsorganopnictogen compoundsprimary alcoholstetraalkylammonium saltsthioureas |
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| Substituents | thioureaaromatic heteromonocyclic compoundimidazole-2-thioneorganosulfur compoundimidazoleorganopnictogen compoundorganic cationorganic saltprimary alcoholorganoheterocyclic compoundazolealcoholtetraalkylammonium saltazacycle1,2-aminoalcoholheteroaromatic compoundorganic oxygen compoundcholinehydrocarbon derivativeamineorganooxygen compound |
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