| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:06 UTC |
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| Update Date | 2025-03-21 18:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024532 |
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| Frequency | 158.7 |
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| Structure | |
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| Chemical Formula | C11H21NO7S |
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| Molecular Mass | 311.1039 |
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| SMILES | NC(CCSCC1OC(CO)C(O)C(O)C1O)C(=O)O |
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| InChI Key | BUXNHPGOKVRIHC-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 | carbonyl compoundscarboxylic acidsdialkyl ethersdialkylthioethersheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosaccharidefatty acidorganosulfur compounddialkyl ethersaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundalcoholsulfenyl compounddialkylthioetheroxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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