| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:19 UTC |
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| Update Date | 2025-03-21 18:40:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130201 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C9H15NO4 |
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| Molecular Mass | 201.1001 |
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| SMILES | CC(=O)OCCN1CCCC1C(=O)O |
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| InChI Key | KXIBQQADIHSNBT-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 acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesazacyclen-alkylpyrrolidinetertiary aliphatic aminepyrrolidine carboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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