| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:42 UTC |
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| Update Date | 2025-03-25 01:01:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251023 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N3O3S |
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| Molecular Mass | 229.0521 |
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| SMILES | O=C(O)CCC1SCC2=NNC(=O)NC21 |
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| InChI Key | WFQWDNUAZVBCPP-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 | thia fatty acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,2,4-triazinesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssemicarbazidesthiolanes |
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| Substituents | thiolanecarbonyl groupcarbonic acid derivativecarboxylic acidazacycledialkylthioethercarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundtriazinehydrocarbon derivativeorganic nitrogen compound1,2,4-triazinesemicarbazideorganoheterocyclic compoundorganooxygen compound |
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