| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:01 UTC |
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| Update Date | 2025-03-21 18:34:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103028 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C14H21N3O8S |
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| Molecular Mass | 391.1049 |
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| SMILES | NC(CCSCC1OC(n2ccc(=O)[nH]c2=O)C(O)C(O)C1O)C(=O)O |
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| InChI Key | GZLBBAXNVDJTMJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidslactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyrimidonessecondary alcoholssulfenyl compoundsthia fatty acidsvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidepyrimidoneorganosulfur compoundpyrimidinesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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