| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:19 UTC |
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| Update Date | 2025-03-25 00:57:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227317 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H18N2O2S |
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| Molecular Mass | 230.1089 |
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| SMILES | C=CCNC(=S)NC(C(=O)O)C(C)CC |
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| InChI Key | NRSMKPCRBVRSHP-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupthioureacarboxylic acidmethyl-branched fatty acidorganosulfur compoundbranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundisoleucine or derivativesorganooxygen compound |
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