| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:27 UTC |
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| Update Date | 2025-03-25 00:45:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152188 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21N5O7S |
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| Molecular Mass | 415.1162 |
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| SMILES | NC(CCSc1ncnc2c1ncn2C1OC(CO)C(O)C(O)C1O)C(=O)O |
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| InChI Key | APTIUEBLTKNEGI-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 | alkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acidsfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsimidazolesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidmonosaccharideimidazopyrimidinealkylarylthioetherorganosulfur compoundaryl thioetherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholsulfenyl compoundazacycleheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic aminepurineorganic nitrogen compoundorganooxygen compound |
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