| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:42 UTC |
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| Update Date | 2025-03-21 18:35:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104729 |
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| Frequency | 25.8 |
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| Structure | |
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| Chemical Formula | C9H12N4O3 |
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| Molecular Mass | 224.0909 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC2CCC(=O)O |
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| InChI Key | IZQWMPVPEDDHRJ-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonespyrrolespyrrolopyrimidinessecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidpyrimidonepyrimidinepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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