| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:41 UTC |
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| Update Date | 2025-03-25 00:49:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175465 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H18N2O2S |
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| Molecular Mass | 206.1089 |
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| SMILES | CS(=O)CCCCC(N)CC(N)=O |
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| InChI Key | DIPVQAARMHZPIT-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 | carbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessulfinyl compoundssulfoxides |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupfatty amideorganosulfur compoundcarboxamide groupbeta amino acid or derivativesorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxideorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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