| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:37 UTC |
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| Update Date | 2025-03-25 00:54:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209600 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N4O6 |
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| Molecular Mass | 300.107 |
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| SMILES | CC(Nc1ncn(C2CC(O)C(CO)O2)c(=O)n1)C(=O)O |
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| InChI Key | NUFVLOVBFKYDOE-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-aliphatic s-triazinesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary alkylarylaminestetrahydrofuranstriazinones |
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| Substituents | n-aliphatic s-triazinecarbonyl groupamino-1,3,5-triazinecarboxylic acidaromatic heteromonocyclic compoundamino acidmonosaccharidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranaminotriazineheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhalo-s-triazinesecondary alcoholtriazinealanine or derivativeshydrocarbon derivative1,3,5-triazineorganic nitrogen compoundtriazinoneorganooxygen compoundamine |
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