| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:26 UTC |
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| Update Date | 2025-03-21 18:38:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123341 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C11H16N6O3S |
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| Molecular Mass | 312.1005 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CSCCC(N)C(=O)O)=N2 |
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| InChI Key | REAKMJBNNJCJAF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativesketiminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminessulfenyl compoundsthia fatty acidsvinylogous amides |
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| Substituents | fatty acylketiminecarbonyl groupcarboxylic acidamino acid or derivativesamino acidiminepyrimidonealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidepterinsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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