| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:19 UTC |
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| Update Date | 2025-03-21 18:35:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106222 |
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| Frequency | 25.4 |
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| Structure | |
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| Chemical Formula | C12H17N5O3 |
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| Molecular Mass | 279.1331 |
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| SMILES | Nc1nc2c(ccn2CCCCC(N)C(=O)O)c(=O)[nH]1 |
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| InChI Key | GRUCUAOTICDFLA-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonespyrrolo[2,3-d]pyrimidinessubstituted pyrrolesvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidamino acidheterocyclic fatty acidfatty acidpyrimidonesubstituted pyrrolepyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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