DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:44 UTC
Update Date	2025-03-25 01:00:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02241792
Frequency	0.5
Structure
Chemical Formula	C₂₅H₃₅N₇O₁₇P₂
Molecular Mass	767.1565
SMILES	CC(O)C(O)c1cn(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=CCC(C(N)=O)=C4)C(O)C3O)C(O)C2O)c2nc(N)nc(=O)c-2n1
InChI Key	OXNVTISHWSTJIF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	nicotinamide nucleotides
Direct Parent	nicotinamide nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives aromatic alcohols azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives monoalkyl phosphates monosaccharides n-substituted nicotinamides organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides pterins and derivatives pyrazines pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	aromatic alcohol primary carboxylic acid amide carbonyl group pentose phosphate amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate pyrimidone nicotinamide-nucleotide pteridine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound dihydropyridine organoheterocyclic compound alcohol vinylogous amide pterin azacycle tetrahydrofuran heteroaromatic compound carboxamide group organic pyrophosphate n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate pyrazine secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound enamine

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