| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:49 UTC |
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| Update Date | 2025-03-21 18:03:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047742 |
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| Frequency | 69.7 |
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| Structure | |
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| Chemical Formula | C11H15N3O6 |
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| Molecular Mass | 285.0961 |
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| SMILES | NC(CCCCn1c(C(=O)O)cc(=O)[nH]c1=O)C(=O)O |
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| InChI Key | HQAPCMAQPKXBNR-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 heteromonocyclic compounds |
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| Alternative Parents | amino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonoalkylaminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidinecarboxylic acidspyrimidonesvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidpyrimidonepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidpyrimidine-6-carboxylic acidorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundamino fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesorganooxygen compound |
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