| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:07 UTC |
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| Update Date | 2025-03-25 00:56:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220137 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23N3O5S3 |
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| Molecular Mass | 397.08 |
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| SMILES | CS(=O)CCCCNC(=S)SCC(N=CCC(N)C(=O)O)C(=O)O |
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| InChI Key | IMQDPKDSTWXMAF-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 | aldiminesalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdithiocarbamic acid estersfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidiminefatty acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundorganic 1,3-dipolar compounddithiocarbamic acid esterorganic oxygen compoundcysteine or derivativessulfoxidedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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