| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:58 UTC |
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| Update Date | 2025-03-25 00:54:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205758 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N2O3S |
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| Molecular Mass | 286.1351 |
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| SMILES | NCCCCCCC1SCC2C(C(=O)O)NC(=O)C12 |
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| InChI Key | CMYXDKOBBMPLAQ-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 | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxoprolinespyrrolidine carboxylic acidspyrrolidine-2-onessecondary carboxylic acid amidesthiolanes |
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| Substituents | thiolane2-pyrrolidonecarbonyl grouplactamcarboxylic acidalpha-amino acid or derivativescarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundcyclic hybrid peptideoxoprolineazacycledialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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