| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:19 UTC |
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| Update Date | 2025-03-21 18:40:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130186 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C10H16N2O5S |
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| Molecular Mass | 276.078 |
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| SMILES | NC(CSCC(=O)N1CCCC1C(=O)O)C(=O)O |
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| InChI Key | GYBCHFLJPPCHNJ-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidssulfenyl compoundstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidn-acylpyrrolidineorganosulfur compoundorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessulfenyl compoundazacyclen-acyl-alpha-amino aciddialkylthioethercarboxamide grouppyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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