| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:21 UTC |
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| Update Date | 2025-03-25 00:50:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179294 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H23NO8S |
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| Molecular Mass | 341.1144 |
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| SMILES | CSCCC(NCC1(O)OC(CO)C(O)C(O)C1O)C(=O)O |
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| InChI Key | HSFRXCSMUZSYNL-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 | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmethionine and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acid or derivativesamino acidheterocyclic fatty acidmonosaccharidefatty acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary amineoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundsaccharolipidorganooxygen compoundamine |
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