DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:14:10 UTC
Update Date	2025-03-24 21:32:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01811437
Frequency	0.7
Structure
Chemical Formula	C₂₈H₄₄N₃O₂₄P₂+
Molecular Mass	868.1784
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OP(=O)(O)OP(=O)(O)OCC3OC([n+]4cccc(C(N)=O)c4)C(O)C3O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	JLMFHBIVECORMO-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	pyridine nucleotides
Direct Parent	pyridine nucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides azacyclic compounds c-glucuronides carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines ketals methylpyridines monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides nicotinamides organic cations organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary carboxylic acid amides pyran carboxylic acids pyridinecarboxylic acids and derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carboxylic acid nicotinamide monosaccharide pentose-5-phosphate pyran carboxylic acid saccharide acetal ketal organonitrogen compound oxane organoheterocyclic compound acetamide c-glucuronide pyridine nucleotide alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide pyridine monoalkyl phosphate hydrocarbon derivative primary carboxylic acid amide carbonyl group aromatic heteromonocyclic compound pentose phosphate carboxylic acid derivative organic oxide organopnictogen compound organic cation primary alcohol pyran carboxylic acid or derivatives tetrahydrofuran hydroxypyridine methylpyridine carboxamide group oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester pyran secondary alcohol organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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