| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:35:10 UTC |
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| Update Date | 2025-03-21 17:56:53 UTC |
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| HMDB ID | HMDB0002194 |
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| Metabolite Identification |
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| DeepMet ID | DMID00004237 |
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| Name | N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine |
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| Frequency | 1335.4 |
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| Structure | |
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| Chemical Formula | C9H13NO6S |
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| Molecular Mass | 263.0464 |
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| SMILES | CC(=O)NC(CSCCC(=O)C(=O)O)C(=O)O |
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| InChI Key | AHFWWWFNCBRMIV-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain keto acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioetherketo acidcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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