| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:25 UTC |
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| Update Date | 2025-03-21 18:40:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128056 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C11H20N3O2S+ |
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| Molecular Mass | 258.1271 |
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| SMILES | CCOC(=O)C(Cc1c[nH]c(=S)[nH]1)[N+](C)(C)C |
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| InChI Key | BEZRGFHIVKIEFU-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 acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminesazacyclic compoundscarbonyl compoundscarboxylic acid estersfatty acid estersheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium saltsthioureas |
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| Substituents | fatty acylcarbonyl groupthioureaaromatic heteromonocyclic compoundimidazole-2-thioneorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundazoletetraalkylammonium saltalpha-amino acid esterazacyclequaternary ammonium saltheteroaromatic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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