| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:51 UTC |
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| Update Date | 2025-03-25 00:59:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237494 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N4O7S |
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| Molecular Mass | 376.1053 |
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| SMILES | Nc1ccn(C2OC(CSCC(N)C(=O)O)C(O)C(O)C2O)c(=O)n1 |
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| InChI Key | RGSDLWYVILPPQI-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyrimidonessecondary alcoholssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidmonosaccharidepyrimidoneorganosulfur compoundpyrimidinesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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