| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:31 UTC |
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| Update Date | 2025-03-25 00:45:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152341 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N4O6S |
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| Molecular Mass | 350.126 |
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| SMILES | NC(CCCCNCC1(O)C2NC(=O)NC2CS1(=O)=O)C(=O)O |
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| InChI Key | IVJFEZIUXMYWIB-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimidazolidinonesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundssulfonesthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty acidthiophenemedium-chain hydroxy acidaliphatic heteropolycyclic compoundimidazolidinoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundsecondary aliphatic aminecarbonic acid derivativeazacyclesecondary aminethienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaminesulfone |
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