| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:32 UTC |
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| Update Date | 2025-03-25 00:50:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181998 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17NO7S |
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| Molecular Mass | 283.0726 |
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| SMILES | O=C(O)C(NC1OC(CO)C(O)C1O)C(O)CS |
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| InChI Key | WJVHDMGXYNXKBD-UHFFFAOYSA-N |
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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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkylthiolsamino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylamineshemiaminalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsorganosulfur compoundsoxacyclic compoundsprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivativestetrahydrofuransthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidheterocyclic fatty acidmonosaccharidefatty acidorganosulfur compoundhemiaminalbeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminetetrahydrofuranhydroxy acidsecondary amineoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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