| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:11 UTC |
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| Update Date | 2025-03-25 00:52:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194735 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H22N2O3S2 |
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| Molecular Mass | 294.1072 |
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| SMILES | CCN(CC)CCOC(=S)SCCC(N)C(=O)O |
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| InChI Key | RDGYLMFOOPYTJP-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 acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonothioacetalsorganic oxidesorganopnictogen compoundsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acidstrialkylamines |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidfatty acidorganosulfur compoundmonothioacetalorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminesulfenyl compoundtertiary aliphatic aminemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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