| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:40 UTC |
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| Update Date | 2025-03-25 00:51:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184541 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H31NO14S |
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| Molecular Mass | 517.1465 |
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| SMILES | NC(CCSCC(=O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(=O)O |
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| InChI Key | TWONXPYPDVZZSI-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 acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosaccharidefatty acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundalcoholsulfenyl compounddialkylthioetheroxacyclethia fatty acidorganic oxygen compoundthioethercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsaccharolipidorganooxygen compound |
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