DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:15:52 UTC
Update Date	2025-03-24 21:33:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01815600
Frequency	0.7
Structure
Chemical Formula	C₂₆H₃₄N₁₂O₁₉P₄
Molecular Mass	942.1014
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(n4cnc5c(N)ncnc54)C3OP(=O)(O)O)C(O)C2O)C=CC1
InChI Key	PNILRVQXHHWRRX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides nicotinamide nucleotides organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine deoxyribonucleoside 3',5'-bisphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group pentose phosphate amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound dihydropyridine imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole ribonucleoside 3'-phosphate alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group n-substituted nicotinamide purine deoxyribonucleoside 3',5'-bisphosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine purine deoxyribonucleoside bisphosphate organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound enamine

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