| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:47 UTC |
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| Update Date | 2025-03-21 18:36:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109811 |
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| Frequency | 24.3 |
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| Structure | |
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| Chemical Formula | C12H22N2O3 |
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| Molecular Mass | 242.163 |
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| SMILES | CCC(C)C(N)C(=O)N1CCCC1C(=O)OC |
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| InChI Key | BASVVINIBFXIGN-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 | peptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acid estersalpha amino acidsazacyclic compoundscarbonyl compoundshydrocarbon derivativesisoleucine and derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidstertiary carboxylic acid amides |
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| Substituents | carbonyl groupn-acylpyrrolidinealpha-amino acid or derivativesalpha peptideorganic oxidemethyl esterpyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineisoleucine or derivativesorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalpha-amino acid amidealpha-amino acid esterazacyclen-acyl-alpha-amino acidcarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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