| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:38 UTC |
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| Update Date | 2025-03-25 01:01:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250842 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15NO5S |
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| Molecular Mass | 261.0671 |
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| SMILES | O=C(O)CC(NC(=O)C1CCCCS1)C(=O)O |
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| InChI Key | BMRVYXDBSKBKKQ-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthianes |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundthianen-acyl-alpha amino acid or derivativesn-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetheraspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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