| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:13 UTC |
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| Update Date | 2025-03-21 18:07:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069851 |
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| Frequency | 43.2 |
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| Structure | |
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| Chemical Formula | C12H19N5O5 |
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| Molecular Mass | 313.1386 |
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| SMILES | CC(=O)Nc1c(N)n(CCCCC(N)C(=O)O)c(=O)[nH]c1=O |
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| InChI Key | VTZWGCZREPACGY-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 | acetamidesamino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acetylarylaminesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundamino acidheterocyclic fatty acidfatty acidpyrimidonen-arylamidepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundacetamidevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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