| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:32 UTC |
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| Update Date | 2025-03-25 00:53:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200189 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19N3O4 |
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| Molecular Mass | 269.1376 |
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| SMILES | Cc1cn(CCCCC(N)CC(=O)O)c(=O)[nH]c1=O |
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| InChI Key | LXQDPSKGONFHBH-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonesvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidpyrimidonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundamino fatty acidbeta amino acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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