| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:14 UTC |
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| Update Date | 2025-03-21 18:31:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084315 |
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| Frequency | 34.0 |
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| Structure | |
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| Chemical Formula | C13H20N2O4S |
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| Molecular Mass | 300.1144 |
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| SMILES | CC(=O)NC(CSCc1ccc(CN(C)C)o1)C(=O)O |
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| InChI Key | MSEIPTJRFMWMLM-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidsaralkylaminescarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfenyl compoundstrialkylamines |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganosulfur compoundaralkylamineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundtertiary aliphatic aminecarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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