| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:24 UTC |
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| Update Date | 2025-03-25 00:45:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152085 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO8 |
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| Molecular Mass | 265.0798 |
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| SMILES | NC(CC(=O)OC1OCC(O)C(O)C1O)C(=O)O |
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| InChI Key | MDOBJHBCNICNAO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosaccharidesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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