| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:19 UTC |
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| Update Date | 2025-03-25 00:50:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181520 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO6S |
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| Molecular Mass | 291.0777 |
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| SMILES | O=C(O)CCCC1N2C(CCC2C(=O)O)CS1(=O)=O |
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| InChI Key | JINYXMGFGJCOMH-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine carboxylic acidspyrrolothiazolessulfonesthiazolidines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidaliphatic heteropolycyclic compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundazacyclen-alkylpyrrolidinepyrrolothiazolepyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfonethiazolidine |
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