| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:31 UTC |
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| Update Date | 2025-03-21 18:35:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104270 |
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| Frequency | 35.7 |
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| Structure | |
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| Chemical Formula | C9H13N3O2 |
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| Molecular Mass | 195.1008 |
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| SMILES | O=C(O)C1CCCN1Cc1cnc[nH]1 |
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| InChI Key | PBULVRBXZMZECD-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 acidsaralkylaminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidaralkylamineorganic oxideimidazolepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundazoleproline or derivativesazacyclen-alkylpyrrolidineheteroaromatic compoundtertiary aliphatic aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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