| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:54 UTC |
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| Update Date | 2025-03-25 00:46:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157788 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21NO4S |
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| Molecular Mass | 275.1191 |
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| SMILES | O=C(O)CCCCC1CSC(CCCC(=O)O)N1 |
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| InChI Key | CSXSBJDYAXUUQI-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesorganopnictogen compoundsthiazolidinesthiohemiaminal derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundhemithioaminalorganopnictogen compounddelta amino acid or derivativesmedium-chain fatty acidorganoheterocyclic compoundsecondary aliphatic amineazacycledialkylthioethersecondary amineorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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