| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:40 UTC |
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| Update Date | 2025-03-25 00:47:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159462 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO6 |
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| Molecular Mass | 231.0743 |
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| SMILES | O=CCC(CCC(O)=NCC(=O)O)C(=O)O |
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| InChI Key | MQISZLKSRCYBGB-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesbranched fatty acidscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidaldehydeorganic 1,3-dipolar compoundbranched fatty acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundalpha-hydrogen aldehydeorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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