| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:18 UTC |
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| Update Date | 2025-03-21 18:34:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101260 |
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| Frequency | 27.0 |
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| Structure | |
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| Chemical Formula | C12H22N2O7S |
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| Molecular Mass | 338.1148 |
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| SMILES | CC(=O)NC1C(CSCCC(N)C(=O)O)OC(O)C(O)C1O |
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| InChI Key | ZPAPNQPGMBZUDD-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 acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetamidescarbonyl compoundscarboxylic acidsdialkylthioethershemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosaccharidefatty acidorganosulfur compoundsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalhydroxy fatty acidoxaneorganoheterocyclic compoundacetamide1,2-diolalcoholsulfenyl compounddialkylthioethercarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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