| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:06 UTC |
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| Update Date | 2025-03-25 00:54:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203751 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO4S |
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| Molecular Mass | 259.0878 |
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| SMILES | O=C(O)CCCCC1SCC2C(=O)OCCN12 |
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| InChI Key | UUPBJABVPGJZSU-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 acid esters |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeslactonesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmorpholinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsthiazolidinesthiohemiaminal derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidmedium-chain hydroxy acidlactonealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundalpha-amino acid esterazacycledialkylthioetheroxazinaneoxacyclemorpholineorganic oxygen compoundthioethercarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
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