| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:43 UTC |
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| Update Date | 2025-03-25 00:45:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150490 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H26N2O10S |
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| Molecular Mass | 426.1308 |
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| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)CSCC(N)C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | YBXMFGXOOADMNI-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarboxylic acidsdialkylthioethershemiacetalshydrocarbon derivativesketonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidorganosulfur compoundketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholsulfenyl compounddialkylthioethercarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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