| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:00 UTC |
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| Update Date | 2025-03-21 18:06:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064520 |
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| Frequency | 47.7 |
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| Structure | |
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| Chemical Formula | C8H10NO4S+ |
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| Molecular Mass | 216.0325 |
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| SMILES | O=Cc1c(CCO)sc[n+]1CC(=O)O |
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| InChI Key | HIBLPEOOQPURAC-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesalcohols and polyolsaryl-aldehydesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydealpha-amino acid or derivatives4,5-disubstituted 1,3-thiazoleorganic oxidemonocarboxylic acid or derivativesaryl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationthiazoleorganoheterocyclic compoundorganooxygen compoundazole |
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