| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:35:16 UTC |
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| Update Date | 2025-03-21 17:56:55 UTC |
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| HMDB ID | HMDB0030411 |
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| Metabolite Identification |
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| DeepMet ID | DMID00004487 |
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| Name | (2R,2'S)-Isobuteine |
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| Frequency | 1252.0 |
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| Structure | |
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| Chemical Formula | C7H13NO4S |
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| Molecular Mass | 207.0565 |
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| SMILES | CC(CSCC(N)C(=O)O)C(=O)O |
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| InChI Key | QSPWUNSFUXUUDG-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 acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundorganic oxideorganic oxygen compoundthioethercysteine or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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