| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:57 UTC |
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| Update Date | 2025-03-21 18:38:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119882 |
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| Frequency | 26.8 |
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| Structure | |
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| Chemical Formula | C10H14N2O4S |
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| Molecular Mass | 258.0674 |
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| SMILES | O=C1CSCC(C(=O)N2CCCC2C(=O)O)N1 |
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| InChI Key | JPCYYGXULNMOCT-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidssecondary carboxylic acid amidestertiary carboxylic acid amidesthiomorpholines |
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| Substituents | carbonyl grouplactamcarboxylic acidn-acylpyrrolidinealpha-amino acid or derivativesorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivatives1,4-thiazinaneazacyclen-acyl-alpha-amino aciddialkylthioethercarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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