| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:51 UTC |
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| Update Date | 2025-03-25 00:46:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157663 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O5S |
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| Molecular Mass | 274.0623 |
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| SMILES | O=C(O)CCC1SCC2NC(C(=O)O)C(=O)NC21 |
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| InChI Key | ZQKXHYNFMGJOBW-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 | 1,3-dicarbonyl compoundsamino acidsazacyclic compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspiperazine carboxylic acidspiperazinessecondary carboxylic acid amidesthia fatty acidsthiolanes |
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| Substituents | thiolanefatty acylcarbonyl grouplactamcarboxylic acidamino acidaliphatic heteropolycyclic compoundorganic oxidepiperazineorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycledialkylthioetherpiperazine-2-carboxylic acidsecondary aminecarboxamide groupsecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioether1,4-diazinanedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundamine |
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