Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:48 UTC |
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Update Date | 2025-03-21 18:35:18 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00104979 |
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Frequency | 25.8 |
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Structure | |
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Chemical Formula | C14H26N3O11P2+ |
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Molecular Mass | 474.1037 |
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SMILES | C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)CC1O |
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InChI Key | QHNBRCSEUIFGBB-UHFFFAOYSA-O |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organic oxygen compounds |
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Class | organooxygen compounds |
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Subclass | carbohydrates and carbohydrate conjugates |
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Direct Parent | pentose phosphates |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | aminesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganic pyrophosphatesorganic saltsorganopnictogen compoundsoxacyclic compoundsphosphocholinespyrimidonessecondary alcoholstetraalkylammonium saltstetrahydrofuransvinylogous amides |
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Substituents | lactamaromatic heteromonocyclic compoundpentose phosphatepyrimidonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativetetraalkylammonium saltazacycletetrahydrofuranquaternary ammonium saltheteroaromatic compoundorganic pyrophosphatephosphocholineoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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