| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:22 UTC |
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| Update Date | 2025-03-21 18:04:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051349 |
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| Frequency | 63.6 |
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| Structure | |
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| Chemical Formula | C8H16N2O4S |
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| Molecular Mass | 236.0831 |
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| SMILES | NC(CCSCC(N)C(=O)O)CC(=O)O |
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| InChI Key | QHQICMXJOLXTFC-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 acidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherfatty acidorganosulfur compoundbeta amino acid or derivativesorganic oxideorganic oxygen compoundthioethercysteine or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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