| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:55 UTC |
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| Update Date | 2025-03-21 18:33:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095409 |
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| Frequency | 29.1 |
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| Structure | |
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| Chemical Formula | C10H16N2O4S2 |
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| Molecular Mass | 292.0551 |
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| SMILES | C=CCNC(=S)SCC(NC(C)=O)C(O)C(=O)O |
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| InChI Key | JJDLZJVHMSPKBL-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdithiocarbamic acid estersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharideorganosulfur compoundsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidacetamidealcoholsulfenyl compoundhydroxy acidcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amidedithiocarbamic acid estermonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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