| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:15 UTC |
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| Update Date | 2025-03-21 18:41:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132405 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C16H26N8O4 |
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| Molecular Mass | 394.2077 |
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| SMILES | Nc1ncn(CCCCC(N)C(=O)O)c2nc(NCCCC(N)C(=O)O)nc1-2 |
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| InChI Key | JFNWGTRSCDBIDO-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 acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidazolesimidolactamsmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alkylarylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty acidimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidimidolactamorganoheterocyclic compoundazoleazacycleheteroaromatic compoundsecondary amineamino fatty acidsecondary aliphatic/aromatic amineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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