| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:29 UTC |
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| Update Date | 2025-03-25 00:52:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195440 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22N4O5S |
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| Molecular Mass | 358.1311 |
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| SMILES | CC1C(CSCCC(N)C(=O)O)OC(n2ccc(N)nc2=O)C1O |
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| InChI Key | IQSWFZNTNCZQQE-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholssulfenyl compoundstetrahydrofuransthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidoneorganosulfur compoundpyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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