| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:04 UTC |
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| Update Date | 2025-03-21 18:36:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110517 |
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| Frequency | 24.1 |
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| Structure | |
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| Chemical Formula | C8H13NO7S |
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| Molecular Mass | 267.0413 |
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| SMILES | NC(CCSCC(O)(C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | ONHGMVRSPFQFLK-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 acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstertiary alcoholsthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioetherhydroxy acidtertiary alcoholthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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