| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:59 UTC |
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| Update Date | 2025-03-21 18:31:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088369 |
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| Frequency | 32.1 |
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| Structure | |
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| Chemical Formula | C10H18N2O4S |
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| Molecular Mass | 262.0987 |
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| SMILES | CS(=O)CCC(NC(=O)C1CCCN1)C(=O)O |
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| InChI Key | SMJJSMCZQVHHTN-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 acid amidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidessulfinyl compoundssulfoxidesthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxidesulfinyl compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativessecondary aliphatic aminealpha-amino acid amideazacyclen-acyl-alpha-amino acidsecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidpyrrolidine carboxylic acid or derivativesorganic oxygen compoundsulfoxidehydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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