| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:21 UTC |
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| Update Date | 2025-03-25 00:54:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206590 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N4O8 |
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| Molecular Mass | 332.0968 |
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| SMILES | O=C(O)C(CO)Nc1nc(=O)n(C2CC(O)C(CO)O2)c(=O)[nH]1 |
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| InChI Key | BUXRHJFAHPLLSH-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 | serine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl 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 acidmonosaccharidebeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranaminotriazineheteroaromatic compoundhydroxy acidsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhalo-s-triazinesecondary alcoholtriazinehydrocarbon derivative1,3,5-triazineorganic nitrogen compoundserine or derivativestriazinoneorganooxygen compoundamine |
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