| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:27 UTC |
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| Update Date | 2025-03-25 01:01:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252699 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14N2O3S2 |
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| Molecular Mass | 250.0446 |
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| SMILES | NC(CSC(=S)N1CCC(O)C1)C(=O)O |
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| InChI Key | MRKAMQFLOHUUDC-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdithiocarbamic acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidinessecondary alcoholssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundalcoholsulfenyl compoundazacycledithiocarbamic acid estermonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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