| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:35:17 UTC |
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| Update Date | 2025-03-24 21:41:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01861355 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C31H50N3O26P2+ |
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| Molecular Mass | 942.2152 |
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| SMILES | CC(=O)NC1C(OC2C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OCC3OC([n+]4cccc(C(N)=O)c4)C(O)C3O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | VANGRHUJBZWBRX-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | pyridine nucleotides |
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| Subclass | pyridine nucleotides |
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| Direct Parent | pyridine nucleotides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkyl phosphatesmonosaccharidesn-acyl-alpha-hexosaminesnicotinamidesorganic cationsorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary alcoholsprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl grouparomatic heteromonocyclic compoundpentose phosphatenicotinamidemonosaccharidepentose-5-phosphatecarboxylic acid derivativen-acyl-alpha-hexosaminesaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compoundorganic cationoxaneprimary alcoholorganoheterocyclic compoundacetamidepyridine nucleotidealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide grouporganic pyrophosphateoxacyclesecondary carboxylic acid amidepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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