| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:26 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152159 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18N2O2S |
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| Molecular Mass | 218.1089 |
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| SMILES | NC(CCSCC1CCNC1)C(=O)O |
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| InChI Key | MJYJHBFUWRDFCU-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidinessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic aminesulfenyl compoundazacycledialkylthioethersecondary aminemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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