| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:13 UTC |
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| Update Date | 2025-03-21 18:37:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118168 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C11H16N2O5S |
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| Molecular Mass | 288.078 |
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| SMILES | O=C(O)C1CSCC(C(=O)N2CCCC2C(=O)O)N1 |
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| InChI Key | IVLYOIRMQRERAW-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 acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidstertiary carboxylic acid amidesthiomorpholine carboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidn-acylpyrrolidinealpha-amino acid or derivativesorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinethiomorpholine-3-carboxylic acidorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivatives1,4-thiazinanesecondary aliphatic amineazacyclen-acyl-alpha-amino aciddialkylthioethersecondary aminecarboxamide groupalpha-dipeptidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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