| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:26 UTC |
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| Update Date | 2025-03-25 01:00:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241083 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H32N2O12S |
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| Molecular Mass | 500.1676 |
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| SMILES | CC(=O)NC1C(OCC2OC(SCCC(N)C(=O)O)C(O)C(O)C2O)OC(CO)C(O)C1O |
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| InChI Key | KUAJPAAWHNIYCH-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 | acetalsacetamidesalpha amino acidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesmonothioacetalsn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-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 derivativen-acyl-alpha-hexosaminemonothioacetalsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholsulfenyl compoundcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsaccharolipidorganooxygen compound |
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