| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:44 UTC |
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| Update Date | 2025-03-25 00:51:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184683 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19N2O6S+ |
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| Molecular Mass | 319.0958 |
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| SMILES | NC(CCc1cs[n+](C2OC(CO)C(O)C2O)c1)C(=O)O |
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| InChI Key | RRKHYUQVJCTDAV-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofuransthiazoles |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationprimary alcoholorganoheterocyclic compoundazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compound |
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