| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:43 UTC |
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| Update Date | 2025-03-25 01:00:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241779 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO4S |
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| Molecular Mass | 233.0722 |
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| SMILES | CC(O)C(O)C1=NC(CCC(=O)O)SC1 |
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| InChI Key | AFCCZRMBSWERCT-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholsthia fatty acidsthiazolines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidmeta-thiazolineiminecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compound1,2-diolalcoholazacycledialkylthioetherorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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