| 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 | DMID02203753 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N2O5S2 |
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| Molecular Mass | 372.0814 |
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| SMILES | O=C(O)CCCCC1SCC2NC(=O)N3C(C(=O)O)=CCC3C2S1 |
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| InChI Key | CCCQQMDTZOPKSU-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 acidsdialkylthioethersdiazinanesdicarboxylic acids and derivativesdithianesdithioacetalsfatty acylsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonespyrroline 2-carboxylic acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acid1,3-dithianeheterocyclic fatty acidpyrimidonepyrimidinealiphatic heteropolycyclic compound1,3-diazinaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundcarbonic acid derivativeazacycledialkylthioetherpyrroline carboxylic acid or derivativespyrroline 2-carboxylic acidorganic oxygen compoundpyrrolinepyrroline carboxylic acidthioetherdicarboxylic acid or derivativeshydrocarbon derivativethioacetalorganic nitrogen compoundorganooxygen compound |
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