| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:05 UTC |
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| Update Date | 2025-03-25 00:51:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185495 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15N7O3 |
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| Molecular Mass | 281.1236 |
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| SMILES | Nc1nc2c(nnn2CCCCC(N)C(=O)O)c(=O)[nH]1 |
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| InChI Key | MSTJOZBFWNWIKP-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 compoundspyrimidonestriazolestriazolopyrimidinesvinylogous amides |
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| Substituents | fatty acyltriazolecarbonyl grouplactamcarboxylic acidamino acidheterocyclic fatty acidfatty acidpyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid1,2,3-triazoletriazolopyrimidineorganoheterocyclic compoundazolevinylogous amideazacycleheteroaromatic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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