| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:50:55 UTC |
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| Update Date | 2025-03-21 18:02:51 UTC |
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| HMDB ID | HMDB0060571 |
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| Metabolite Identification |
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| DeepMet ID | DMID00040696 |
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| Name | Carboxycelecoxib |
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| Frequency | 84.8 |
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| Structure | |
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| Chemical Formula | C17H12F3N3O4S |
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| Molecular Mass | 411.0501 |
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| SMILES | NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(=O)O)cc2)cc1 |
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| InChI Key | WTHNOVFEXONZMI-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 | azoles |
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| Subclass | pyrazoles |
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| Direct Parent | phenylpyrazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesaminosulfonyl compoundsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundbenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amidephenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidebenzoic acidbenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundalkyl fluorideorganofluorideheteroaromatic compoundbenzoic acid or derivativesmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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