| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:23 UTC |
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| Update Date | 2025-03-25 00:57:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225274 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18N2O4 |
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| Molecular Mass | 218.1267 |
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| SMILES | CC(C(=O)O)C(O)C(=O)NCCCCN |
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| InChI Key | PPRRISOWYLTOJG-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amidefatty acidcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholmethyl-branched fatty acidcarboxamide groupbranched fatty acidn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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