DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:27 UTC
Update Date	2025-03-25 00:59:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234328
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₀N₆O₅
Molecular Mass	400.1495
SMILES	COC(=O)c1ccc(NCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)cc1
InChI Key	SLQPZOGBHWAAID-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	5'-deoxyribonucleosides
Direct Parent	5'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols amino acids and derivatives azacyclic compounds benzoic acid esters benzoyl derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams methyl esters monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds phenylalkylamines primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	monocyclic benzene moiety amino acid or derivatives benzoyl monosaccharide benzoate ester imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide methyl ester aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol 5'-deoxyribonucleoside azacycle tetrahydrofuran heteroaromatic compound benzoic acid or derivatives secondary amine secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester secondary alcohol phenylalkylamine hydrocarbon derivative benzenoid primary amine purine organic nitrogen compound amine organooxygen compound

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