| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:45 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 | DMID02241858 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21NO5S |
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| Molecular Mass | 303.114 |
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| SMILES | CC(O)C1=NC2CS(=O)(=O)C(CCCCC(=O)O)C2C1 |
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| InChI Key | MOHVCZJZWADBFX-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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsketiminesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinessecondary alcoholssulfonesthiolanes |
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| Substituents | thiolanefatty acylketiminecarbonyl groupcarboxylic acidheterocyclic fatty acidiminefatty acidcarboxylic acid derivativemedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholazacycleorganic 1,3-dipolar compoundmonocarboxylic acid or derivativespyrrolineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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