| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:38 UTC |
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| Update Date | 2025-03-25 00:48:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170737 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N6O3S |
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| Molecular Mass | 310.0848 |
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| SMILES | CC(=O)NC(CCSc1nc(N)c2[nH]cnc2n1)C(=O)O |
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| InChI Key | GKJOWHGDKFHRQT-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalkylarylthioethersalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty acylsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidimidazopyrimidinealkylarylthioetherorganosulfur compoundaryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundacetamideazolesulfenyl compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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