| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:22 UTC |
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| Update Date | 2025-03-25 00:50:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179348 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO4S |
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| Molecular Mass | 309.1035 |
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| SMILES | CSCCNc1ccc(CC=C(CC(=O)O)C(=O)O)cc1 |
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| InChI Key | KZLXAUZFKHNQDW-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 | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsbenzene and substituted derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessulfenyl compoundsunsaturated fatty acids |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidorganosulfur compoundcarboxylic acid derivativeunsaturated fatty acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidsulfenyl compounddialkylthioethersecondary aminebranched fatty acidsecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxygen compoundthioetherdicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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