| 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 | DMID02181540 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O3S |
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| Molecular Mass | 230.0725 |
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| SMILES | O=C(O)CCCCC12NC(=O)NC1CS2 |
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| InChI Key | BTTMNJUUGDNQQZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthietanesthiohemiaminal derivatives |
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| Substituents | imidazolidinecarbonyl groupcarboxylic acidheterocyclic fatty acidthietanecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxideorganonitrogen compoundhemithioaminalorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundcarbonic acid derivativeazacycledialkylthioethermonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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