| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:12:41 UTC |
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| Update Date | 2025-03-25 01:45:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02508615 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H44N5O23P2+ |
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| Molecular Mass | 916.1897 |
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| SMILES | CC(=O)NC1C(OP(=O)(O)OP(=O)(OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OCC2OC([n+]3cccc(C(N)=O)c3)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)O |
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| InChI Key | VVLYYADGFWUWIJ-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 | sugar acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethersdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-acyl-alpha-hexosaminesnicotinamidesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary alcoholsprimary carboxylic acid amidespyridine nucleotidespyridinecarboxylic acids and derivativespyrimidine ribonucleoside diphosphatespyrimidonessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativeslactamcarboxylic acidnicotinamidemonosaccharidepentose-5-phosphatedialkyl ethermuramic_acidorganonitrogen compoundoxaneorganoheterocyclic compoundacetamidepyridine nucleotidealcoholvinylogous amideazacycleheteroaromatic compoundorganic pyrophosphatesecondary carboxylic acid amidepyrimidine ribonucleoside diphosphatepyridinemonoalkyl phosphatehydrocarbon derivativeprimary carboxylic acid amidecarbonyl groupetheraromatic heteromonocyclic compoundpentose phosphatepyrimidonecarboxylic acid derivativepyrimidinen-acyl-alpha-hexosamineorganic oxideorganopnictogen compoundorganic cationprimary alcoholcarbonic acid derivativetetrahydrofuranhydroxypyridinemethylpyridinecarboxamide groupoxacycledialkyl phosphatemonocarboxylic acid or derivativesphosphoric acid estersecondary alcoholorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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