| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:59 UTC |
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| Update Date | 2025-03-25 00:55:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210472 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O7S |
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| Molecular Mass | 336.0991 |
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| SMILES | CC(=O)NC1C(O)CC(SCC(N)C(=O)O)CC1(O)C(=O)O |
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| InChI Key | UQYSEEQSDOHRIQ-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 homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclohexanolsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidealcoholsulfenyl compounddialkylthioethercyclohexanolhydroxy acidcyclic alcoholcarboxamide groupsecondary carboxylic acid amidetertiary alcoholorganic oxygen compoundthioethercysteine or derivativessecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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