| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:23 UTC |
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| Update Date | 2025-03-25 00:59:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236473 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N3O2S |
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| Molecular Mass | 213.0572 |
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| SMILES | CSCCNc1nccc(C(=O)O)n1 |
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| InChI Key | IOGUICVRHGLGJM-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssecondary alkylarylaminessulfenyl compounds |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpyrimidine-6-carboxylic acidsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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