| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:34 UTC |
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| Update Date | 2025-03-25 00:52:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195656 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17NO4S |
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| Molecular Mass | 247.0878 |
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| SMILES | CC1OC(=O)CC1CSCCC(N)C(=O)O |
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| InChI Key | OGUJOFIQWMYWHP-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 | carbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesgamma butyrolactonesheterocyclic fatty acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsshort-chain hydroxy acids and derivativessulfenyl compoundstetrahydrofuransthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidfatty acidorganosulfur compoundlactoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundtetrahydrofurandialkylthioethergamma butyrolactoneoxacyclethia fatty acidorganic oxygen compoundthioethercarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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