| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:52 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180519 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15ClN3O2S+ |
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| Molecular Mass | 264.0568 |
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| SMILES | C[N+](C)(C)C(Cc1[nH]c(=S)[nH]c1Cl)C(=O)O |
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| InChI Key | ZACCCGJWWBAFFT-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganochloridesorganopnictogen compoundstetraalkylammonium saltsthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundorganochlorideimidazole-2-thioneorganosulfur compoundorganohalogen compoundorganic oxideimidazolealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundazolearyl chloridetetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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