| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:12 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206250 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO7S |
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| Molecular Mass | 281.0569 |
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| SMILES | NC(CCSC1OC(O)(C(=O)O)CC1O)C(=O)O |
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| InChI Key | BHDDKBPHIUPTDR-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonothioacetalsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundstetrahydrofuransthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidalpha-hydroxy acidfatty acidorganosulfur compoundmonothioacetalorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalhydroxy fatty acidorganoheterocyclic compoundalcoholsulfenyl compoundtetrahydrofuranhydroxy acidoxacyclethia fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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