| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:44 UTC |
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| Update Date | 2025-03-25 00:51:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184671 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O9S |
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| Molecular Mass | 370.1046 |
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| SMILES | NC(CO)C(=O)NC(CSC1OC(CO)C(O)C(O)C1O)C(=O)O |
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| InChI Key | OLUFPYXCNIATER-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesmonothioacetalsn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidesserine and derivativessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidealpha-amino acid or derivativesorganosulfur compoundmonothioacetalsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupalpha-dipeptideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundserine or derivativesorganooxygen compound |
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