| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:03 UTC |
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| Update Date | 2025-03-25 00:47:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160291 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N6O3S |
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| Molecular Mass | 340.1318 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CSCCCCC(N)C(=O)O)=N2 |
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| InChI Key | YEPOEQHDTRWTSA-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 acidsdialkylthioethersheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesketiminesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminessulfenyl compoundsvinylogous amides |
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| Substituents | fatty acylketiminecarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidiminefatty acidpyrimidonealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidvinylogous amidepterinsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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