| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:46 UTC |
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| Update Date | 2025-03-25 00:47:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164175 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO5S |
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| Molecular Mass | 235.0514 |
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| SMILES | CC(O)C(C(=O)O)N1CSCC1C(=O)O |
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| InChI Key | WQANKLVMRPUWNC-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 | azacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativesthiazolidinesthiohemiaminal derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidfatty acidbeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholazacycledialkylthioetherhydroxy acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
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