| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:26 UTC |
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| Update Date | 2025-03-25 00:49:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174897 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21N3O2S |
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| Molecular Mass | 271.1354 |
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| SMILES | CCCC=CC=CC(SCCN=C(N)N)C(=O)O |
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| InChI Key | YBTURXKJGFNYKR-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 compoundscarboximidamidescarboxylic acidsdialkylthioethersfatty acylsguanidineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundguanidinedialkylthioetherorganic 1,3-dipolar compoundcarboximidamideorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganooxygen compound |
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