| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:25 UTC |
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| Update Date | 2025-03-21 18:01:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034719 |
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| Frequency | 103.3 |
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| Structure | |
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| Chemical Formula | C11H20N2O5S3 |
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| Molecular Mass | 356.0534 |
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| SMILES | CS(=O)CCCCNC(=S)SCC(NCC(=O)O)C(=O)O |
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| InChI Key | NLBMRHBPGPYEGN-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 acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesdithiocarbamic acid estershydrocarbon derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compoundsecondary aminedithiocarbamic acid esterorganic oxygen compoundcysteine or derivativessulfoxidedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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