| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:27 UTC |
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| Update Date | 2025-03-25 00:50:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184046 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18ClNO8 |
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| Molecular Mass | 327.0721 |
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| SMILES | NC(CCC(=O)OC1OC(CCl)C(O)C(O)C1O)C(=O)O |
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| InChI Key | WMEZTOXYQUXPRZ-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl chloridesalpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershalogenated fatty acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidalkyl chlorideorganochloridemonosaccharideorganohalogen compoundsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidehydroxy fatty acidoxaneorganoheterocyclic compoundalcoholhalogenated fatty acidglutamic acid or derivativesoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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