| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:58 UTC |
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| Update Date | 2025-03-21 18:03:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043244 |
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| Frequency | 78.7 |
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| Structure | |
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| Chemical Formula | C18H34N2O12 |
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| Molecular Mass | 470.2112 |
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| SMILES | NC(CCCCNCC1(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O)C(=O)O |
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| InChI Key | YUBMCLZILRCTNY-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 acidsamino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdialkylamineshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidmonosaccharidefatty acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalmedium-chain fatty acidhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminetetrahydrofuransecondary amineamino fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsaccharolipidorganooxygen compoundamine |
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