| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:07:54 UTC |
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| Update Date | 2025-03-24 21:02:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01652870 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H9NO3 |
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| Molecular Mass | 143.0582 |
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| SMILES | COC(=O)C1NCCC1=O |
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| InChI Key | PXRNWLQOFYJKAK-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 acid esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidsazacyclic compoundscyclic ketonesdialkylamineshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxoprolinesproline and derivativespyrrolidine carboxylic acidspyrrolidine-3-ones |
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| Substituents | carbonyl group3-pyrrolidonecyclic ketoneketoneorganic oxidemethyl esterpyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundproline or derivativessecondary aliphatic amineoxoprolinealpha-amino acid esterazacyclesecondary aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundamine |
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