| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:13 UTC |
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| Update Date | 2025-03-21 18:39:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125173 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C9H18N2O4S2 |
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| Molecular Mass | 282.0708 |
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| SMILES | COC(=O)C(N)CCSSCCC(N)C(=O)O |
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| InChI Key | IORXBHASYPGZKI-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 | alpha amino acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkyldisulfidesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethyl estersmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidorganosulfur compoundorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid esterfatty acid esterdialkyldisulfidethia fatty acidorganic oxygen compoundorganic disulfidecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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