| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:30 UTC |
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| Update Date | 2025-03-25 00:57:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227702 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO6S |
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| Molecular Mass | 251.0464 |
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| SMILES | CC(=NC(CCS(C)(=O)=O)C(=O)O)C(=O)O |
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| InChI Key | JCFIYWSEDMNLML-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 | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketiminessulfonesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundketiminecarbonyl groupcarboxylic acidiminefatty acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundthia fatty acidsulfonylorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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