| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:09 UTC |
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| Update Date | 2025-03-25 00:55:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210897 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H28N2O10S3 |
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| Molecular Mass | 516.0906 |
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| SMILES | CC(=O)NC(CSC(=S)NCCCCS(C)=O)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | NQIFHGCOPKIKEQ-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 acyl ester of carbohydrates |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacetamidesalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesdithiocarbamic acid estersglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesn-acyl-alpha amino acidso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundssulfinyl compoundssulfoxides |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharideorganosulfur compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalsulfinyl compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesalcoholpyran carboxylic acid or derivativessulfenyl compoundn-acyl-alpha-amino acidhydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidedithiocarbamic acid esterorganic oxygen compoundpyrancysteine or derivativescarboxylic acid esteralpha-amino acyl ester of carbohydratesulfoxidesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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