| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:14 UTC |
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| Update Date | 2025-03-21 18:37:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118195 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C11H14N6O3 |
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| Molecular Mass | 278.1127 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(N1CCCC1C(=O)O)=N2 |
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| InChI Key | ZIPQBWKBGYVFIO-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamidinesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspterins and derivativespyrimidonespyrrolidine carboxylic acidssecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidpyrimidoneamidinepteridinepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundpyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineimidolactamorganoheterocyclic compoundproline or derivativesvinylogous amidepterinazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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