| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:28 UTC |
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| Update Date | 2025-03-25 00:53:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197698 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H19NO3S |
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| Molecular Mass | 233.1086 |
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| SMILES | CCC(C)C(O)N=C(CCSC)C(=O)O |
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| InChI Key | MKRYCVFTXPRPRQ-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 | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanolaminesbranched fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketiminesshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | aliphatic acyclic compoundketiminecarbonyl groupcarboxylic acidshort-chain hydroxy acidimineorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalkanolaminesulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundbranched fatty acidmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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