DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 07:46:26 UTC
Update Date	2025-03-24 22:21:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01169826
Frequency	1.2
Structure
Chemical Formula	C₃₀H₄₀N₉O₂₂P₃
Molecular Mass	971.1501
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C(O)C2O)C=CC1
InChI Key	DCSIMBLNZXQWLB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides nicotinamide nucleotides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group pyrimidine ribonucleoside triphosphate lactam pentose phosphate amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate pyrimidone nicotinamide-nucleotide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound dihydropyridine imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound enamine

Showing information for DMID01169826