| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:45 UTC |
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| Update Date | 2025-03-21 18:01:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030728 |
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| Frequency | 120.8 |
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| Structure | |
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| Chemical Formula | C15H22N6O6S |
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| Molecular Mass | 414.1322 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C(O)C1O |
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| InChI Key | ONXUMLVSULLBMN-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsimidazolesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidmonosaccharideimidazopyrimidineorganosulfur compoundpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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