DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:49:32 UTC
Update Date	2025-03-25 01:35:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02454522
Frequency	0.5
Structure
Chemical Formula	C₃₀H₄₂N₉O₂₈P₅
Molecular Mass	1131.0827
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1
InChI Key	YWXNDAPWRINNPE-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 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 organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside monophosphates purines and purine derivatives pyrimidine ribonucleoside polyphosphates pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam amino acid or derivatives purine ribonucleoside monophosphate nicotinamide pyrimidine ribonucleoside polyphosphate monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine saccharide organonitrogen compound dihydropyridine organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound monoalkyl phosphate hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group pentose phosphate pyrimidone carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole carbonic acid derivative tetrahydrofuran carboxamide group n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID02454522