| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:50 UTC |
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| Update Date | 2025-03-21 18:00:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028588 |
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| Frequency | 131.5 |
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| Structure | |
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| Chemical Formula | C13H22N2O9 |
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| Molecular Mass | 350.1325 |
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| SMILES | CC(=O)NC1C(OC(=O)CCC(N)C(=O)O)OC(CO)C(O)C1O |
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| InChI Key | CXGZCKNTVRUJFC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | n-acyl-alpha-hexosamines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacetamidesalpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersfatty acyl glycosides of mono- and disaccharidesglutamic acid and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylfatty acyl glycoside of mono- or disaccharidecarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosaccharidealpha-amino acid or derivativescarboxylic acid derivativen-acyl-alpha-hexosamineorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholfatty acyl glycosideglutamic acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidefatty acid estercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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