| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:36 UTC |
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| Update Date | 2025-03-21 18:40:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130886 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C13H18N3O12P |
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| Molecular Mass | 439.0628 |
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| SMILES | O=C(O)CC(NP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)C(=O)O |
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| InChI Key | KKCQBOPMUVYTRS-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 | 1,2-diolsalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic phosphoramidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphosphate estersphosphoric monoester monoamidespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidepyrimidonepyrimidinesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic phosphoric acid amideorganoheterocyclic compound1,2-diolalcoholphosphoric monoester monoamidevinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid esteraspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeorganooxygen compound |
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