DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:29 UTC
Update Date	2025-03-25 01:01:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02248229
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₆N₅O₁₆P₃
Molecular Mass	661.0587
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)CC3O)O2)C=CC1
InChI Key	ASHBCPNVEIGIRZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine deoxyribonucleotides
Direct Parent	pyrimidine 2'-deoxyribonucleoside triphosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines dioxetanes enamines heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates monosaccharides n-substituted nicotinamides organic carbonic acids and derivatives organic oxides organopnictogen compounds orthocarboxylic acid derivatives oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives nicotinamide monosaccharide pyrimidone carboxylic acid derivative 1,3-dioxetane pyrimidine pyrimidine 2'-deoxyribonucleoside triphosphate saccharide organic oxide organonitrogen compound organopnictogen compound dihydropyridine orthocarboxylic acid derivative imidolactam organoheterocyclic compound 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 organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound enamine

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