| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:46 UTC |
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| Update Date | 2025-03-21 18:29:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078447 |
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| Frequency | 37.3 |
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| Structure | |
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| Chemical Formula | C8H13NO2S |
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| Molecular Mass | 187.0667 |
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| SMILES | O=C(O)CCCCCCN=C=S |
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| InChI Key | XHPOPKWAHSJPRF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesisothiocyanatesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsstraight chain fatty acids |
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| Substituents | aliphatic acyclic compoundisothiocyanatecarbonyl groupstraight chain fatty acidcarboxylic acidorganic 1,3-dipolar compoundorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganooxygen compound |
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