| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:11 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206228 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21NO11S |
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| Molecular Mass | 399.0835 |
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| SMILES | NC(CCSCC(=O)OCOC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O |
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| InChI Key | NMCBGOKRTRMRDY-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 | saccharolipids |
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| Subclass | saccharolipids |
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| Direct Parent | saccharolipids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylthioethersfatty acylsglucuronic acid derivativeshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfenyl compoundsthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativessulfenyl compounddialkylthioetherhydroxy acidoxacyclethia fatty acidorganic oxygen compoundthioetherpyrancarboxylic acid estersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsaccharolipidorganooxygen compound |
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