| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:47 UTC |
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| Update Date | 2025-03-21 18:34:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102452 |
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| Frequency | 26.6 |
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| Structure | |
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| Chemical Formula | C9H14N4O2S2 |
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| Molecular Mass | 274.0558 |
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| SMILES | NC(N)=Nc1nc(CSCCCC(=O)O)cs1 |
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| InChI Key | BXOXITMKLXXVES-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 | thiazoles |
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| Direct Parent | 2,4-disubstituted thiazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsguanidinesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundguanidineorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioether2,4-disubstituted 1,3-thiazolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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