| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:50 UTC |
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| Update Date | 2025-03-25 00:59:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239696 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O12S |
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| Molecular Mass | 418.0893 |
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| SMILES | NCCC(=O)NCC(=O)OCOC1OC(COS(=O)(=O)O)C(O)C(O)C1O |
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| InChI Key | LTOZZHDIYLQQGS-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 glycopeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacyl glycinesalkyl sulfatesalpha amino acid estersalpha amino acidsbeta amino acids and derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupmonosaccharidealpha-amino acid or derivativescarboxylic acid derivativesaccharideorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholorganic sulfuric acid or derivativesalpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupbeta amino acid or derivativesn-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhybrid glycopeptidesecondary alcoholsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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