| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:00 UTC |
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| Update Date | 2025-03-25 00:59:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237837 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N6O4S |
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| Molecular Mass | 354.111 |
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| SMILES | Nc1nc(SCC(=O)O)nc2c1ncn2CCCCC(N)C(=O)O |
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| InChI Key | PUXUOHRUGKHCCY-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 | alkylarylthioethersamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidazolesimidolactamsmedium-chain fatty acidsmonoalkylaminesn-substituted imidazolesorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidines and pyrimidine derivativessulfenyl compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty acidimidazopyrimidinealkylarylthioetherorganosulfur compoundaryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidimidolactamorganoheterocyclic compoundazolen-substituted imidazolesulfenyl compoundazacycleheteroaromatic compoundorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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