| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:56 UTC |
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| Update Date | 2025-03-21 18:41:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136216 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C10H18N2O5S |
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| Molecular Mass | 278.0936 |
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| SMILES | COC(=O)C(CCSC)NC(=O)C(N)CC(=O)O |
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| InChI Key | FOUYAXGWRXSTGX-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 | peptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acid estersalpha amino acidsaspartic acid and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethionine and derivativesmethyl estersmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amidealpha-amino acid or derivativesorganosulfur compoundalpha peptideorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amidealpha-amino acid estern-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminesecondary carboxylic acid amidefatty acid esterorganic oxygen compoundthioethercarboxylic acid estermethionine or derivativesaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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