| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:16 UTC |
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| Update Date | 2025-03-25 00:56:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220500 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25N3O8S |
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| Molecular Mass | 419.1362 |
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| SMILES | CSCCC(NC(Cc1cn(C2OC(CO)C(O)C2O)cn1)C(=O)O)C(=O)O |
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| InChI Key | HMMXDQSJGNUNSW-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 | methionine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativesfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsimidazole ribonucleosides and ribonucleotidesimidazolesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssulfenyl compoundstetrahydrofuransthia fatty acids |
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| Substituents | fatty acylimidazole ribonucleosidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidmonosaccharideorganosulfur compoundsaccharideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholsecondary aliphatic aminesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundsecondary amineoxacyclethia fatty acidorganic oxygen compoundthioethermethionine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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