| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:52 UTC |
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| Update Date | 2025-03-25 00:54:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207817 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N6O6S |
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| Molecular Mass | 426.1322 |
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| SMILES | Nc1ncnc2c1ncn2C1OC2OC(CSCCC(N)C(=O)O)C(O)C2C1O |
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| InChI Key | OHGOQAZJKRLMIA-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 heteropolycyclic compounds |
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| Alternative Parents | acetalsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsfurofuransheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsimidazolesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofuransthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidmonosaccharideimidazopyrimidineorganosulfur compoundpyrimidinesaccharideorganic oxideacetalaromatic heteropolycyclic compoundfurofuranimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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