| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:56 UTC |
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| Update Date | 2025-03-25 00:49:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176054 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20N4O9 |
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| Molecular Mass | 388.123 |
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| SMILES | Nc1c(C(NC(CC(=O)O)C(=O)O)C(=O)O)ncn1C1CC(O)C(CO)O1 |
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| InChI Key | FUERFSPFPVIYJF-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminessecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidmonosaccharidetricarboxylic acid or derivativessaccharideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholsecondary aliphatic amineazacycletetrahydrofuranheteroaromatic compoundsecondary amineoxacycleorganic oxygen compoundaspartic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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