DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:12 UTC
Update Date	2025-03-25 00:53:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199411
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₀N₇O₁₆P₃
Molecular Mass	741.0962
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C4COP(=O)(O)OC34)C(O)C2O)C=CC1
InChI Key	XPWLWKDYBSXQRE-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 organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine 2'-deoxyribonucleoside diphosphates purine deoxyribonucleoside 3',5'-bisphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine saccharide organonitrogen compound dihydropyridine organoheterocyclic compound 1,2-diol alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate monoalkyl phosphate hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group pentose phosphate carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole ribonucleoside 3'-phosphate tetrahydrofuran purine 2'-deoxyribonucleoside diphosphate carboxamide group n-substituted nicotinamide purine deoxyribonucleoside 3',5'-bisphosphate oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine purine deoxyribonucleoside bisphosphate organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID02199411