| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:56 UTC |
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| Update Date | 2025-03-25 00:47:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162262 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO6 |
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| Molecular Mass | 203.043 |
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| SMILES | O=C(O)CC1(O)CC(=O)NC1C(=O)O |
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| InChI Key | YSYSXLNZVYQZKN-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 | proline and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxoprolinespyrrolidine carboxylic acidspyrrolidine-2-onessecondary carboxylic acid amidestertiary alcohols |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundproline or derivativesalcoholoxoprolineazacyclecarboxamide groupsecondary carboxylic acid amidetertiary alcoholpyrrolidine carboxylic acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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