| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:32:00 UTC |
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| Update Date | 2025-03-24 22:06:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01995277 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C5H7NO4 |
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| Molecular Mass | 145.0375 |
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| SMILES | O=NCC(=O)CCC(=O)O |
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| InChI Key | XPNLSSQBXGLRCF-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 | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | c-nitroso compoundscarboxylic acidshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain keto acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic nitroso compoundcarboxylic acidshort-chain keto acidorganic 1,3-dipolar compoundcarboxylic acid derivativegamma-keto acidpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundc-nitroso compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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