| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:22 UTC |
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| Update Date | 2025-03-25 00:57:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223048 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N4O3S |
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| Molecular Mass | 314.1413 |
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| SMILES | NC(CCCCCC1SCC2NC(=O)NC21)=NCC(=O)O |
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| InChI Key | LHGCCFBPUAUUQZ-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 | amidinesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethershydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinecarbonyl groupcarboxylic acidamidinethiophenepropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundimidazolidinoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacycledialkylthioetherorganic 1,3-dipolar compoundcarboximidamidethienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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