| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:52 UTC |
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| Update Date | 2025-03-21 18:33:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097747 |
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| Frequency | 28.2 |
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| Structure | |
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| Chemical Formula | C9H16N2O5S |
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| Molecular Mass | 264.078 |
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| SMILES | NC(CCSCC1NC(=O)C(O)C1O)C(=O)O |
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| InChI Key | IXNUHQCNJVFCRY-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acyl2-pyrrolidonecarbonyl grouplactamcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidfatty acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidpyrrolidinepyrrolidoneorganoheterocyclic compound1,2-diolalcoholsulfenyl compoundazacycledialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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