| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:50 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157621 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25N3O5S |
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| Molecular Mass | 371.1515 |
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| SMILES | O=C(O)CCC1=NC2C(CSC2CCCCCC(O)=NCC(=O)O)N1 |
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| InChI Key | KHONAAJSNUVDRN-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 compoundscarboximidamidescarboximidic acidscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesimidazolinesimidolactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiolanes |
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| Substituents | thiolanecarboximidic acidcarbonyl groupcarboxylic acidamidinepropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundcarboximidamideorganic oxygen compound2-imidazolinethioetherimidazolinedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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