| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:52 UTC |
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| Update Date | 2025-03-21 18:30:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081114 |
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| Frequency | 35.7 |
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| Structure | |
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| Chemical Formula | C11H20N2O3S |
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| Molecular Mass | 260.1195 |
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| SMILES | CSCCC(NC(=O)C1CCCCN1)C(=O)O |
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| InChI Key | XEDXZLSNZTXHJP-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 acidsdialkylaminesdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesmethionine and derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspiperidinecarboxamidespiperidinessecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminealpha-amino acid amidesulfenyl compoundazacyclen-acyl-alpha-amino acidpiperidinecarboxamidedialkylthioethersecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeorganic nitrogen compound2-piperidinecarboxamideorganooxygen compoundamine |
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