| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:26 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152153 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22N2O3S2 |
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| Molecular Mass | 330.1072 |
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| SMILES | NC(CCSSCCC(N)C(=O)O)Cc1ccc(O)cc1 |
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| InChI Key | JESJZTVITZVDKD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkyldisulfidesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidamphetamine or derivativessulfenyl compoundaromatic homomonocyclic compounddialkyldisulfidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic disulfidephenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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