| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:50 UTC |
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| Update Date | 2025-03-21 17:59:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023894 |
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| Frequency | 163.8 |
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| Structure | |
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| Chemical Formula | C6H9NO3S |
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| Molecular Mass | 175.0303 |
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| SMILES | O=C(O)C(O)CCCN=C=S |
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| InChI Key | KOJJGCLAPHKLSN-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesisothiocyanatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundisothiocyanatecarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharideorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholorganic 1,3-dipolar compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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