| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:39 UTC |
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| Update Date | 2025-03-25 00:50:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182298 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N3O2 |
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| Molecular Mass | 193.0851 |
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| SMILES | O=C(O)C1CCCN1c1cncnc1 |
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| InChI Key | JHLOTKNHWYVVEM-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaminopyrimidines and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acids |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidineorganic oxidetertiary aliphatic/aromatic aminepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compounddialkylarylaminepyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesazacycleheteroaromatic compoundaminopyrimidinemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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