| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:21 UTC |
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| Update Date | 2025-03-21 18:32:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089214 |
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| Frequency | 53.0 |
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| Structure | |
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| Chemical Formula | C7H13NO4S |
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| Molecular Mass | 207.0565 |
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| SMILES | CSCCC(O)=NC(CO)C(=O)O |
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| InChI Key | WRHUQQKBXVAKKX-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 | serine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholalcoholsulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundserine or derivativesorganooxygen compound |
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