| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:09 UTC |
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| Update Date | 2025-03-25 00:47:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162773 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N3O4S |
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| Molecular Mass | 315.1253 |
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| SMILES | O=C(NC(CS)C(=O)N1CCCC1C(=O)O)C1CCCN1 |
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| InChI Key | TUYWCHPXKQTISF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic polymers |
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| Class | polypeptides |
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| Subclass | polypeptides |
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| Direct Parent | polypeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acid amidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganopnictogen compoundsorganosulfur compoundspeptidesproline and derivativespyrrolidine carboxylic acidspyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidn-acylpyrrolidinealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativealpha peptideorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativessecondary aliphatic aminepolypeptidealpha-amino acid amideazacyclen-acyl-alpha-amino acidsecondary aminecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamidealkylthiolorganooxygen compoundamine |
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