| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:25 UTC |
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| Update Date | 2025-03-25 01:01:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248088 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18N2O5S |
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| Molecular Mass | 290.0936 |
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| SMILES | NC(=O)C(N)CSC1C=CC(O)CC1(O)CC(=O)O |
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| InChI Key | SSKQYLBJLVAOGS-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary alcoholssulfenyl compoundstertiary alcoholsthia fatty acids |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioethercarboxamide grouptertiary alcoholmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethercysteine or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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