| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:42 UTC |
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| Update Date | 2025-03-21 18:37:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114472 |
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| Frequency | 23.1 |
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| Structure | |
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| Chemical Formula | C11H20N2O6S |
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| Molecular Mass | 308.1042 |
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| SMILES | CC(=O)NC1C(SCC(N)C(=O)O)CC(O)C(O)C1O |
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| InChI Key | AMLQNNPKHODUOO-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 acidscarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidealcoholsulfenyl compounddialkylthioethercyclohexanolcyclitol or derivativescyclic alcoholcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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