DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:55:31 UTC
Update Date	2025-03-24 20:05:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01336684
Frequency	1.0
Structure
Chemical Formula	C₁₇H₃₂N₂O₃₁P₇+
Molecular Mass	976.9147
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C3OP(=O)(O)O)C(O)C2O)c1
InChI Key	YCTUDDKSSLXIGT-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	1,2-diols azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hexose phosphates hydrocarbon derivatives hydroxypyridines monoalkyl phosphates monosaccharides nicotinamides organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary carboxylic acid amides pyridinecarboxylic acids and derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives aromatic heteromonocyclic compound pentose phosphate nicotinamide monosaccharide pentose-5-phosphate carboxylic acid derivative saccharide organic oxide organonitrogen compound organopnictogen compound organic cation oxane organoheterocyclic compound 1,2-diol pyridine nucleotide alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group oxacycle pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate hexose phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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