DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:56 UTC
Update Date	2025-03-25 00:51:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02187490
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₅N₇O₇
Molecular Mass	439.1815
SMILES	CC(C)C(NC(N)=O)C(O)C(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	PLCHNIGXXUXLPD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-arylamides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group fatty amide monosaccharide n-arylamide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol carbonic acid derivative azacycle tetrahydrofuran purine nucleoside heteroaromatic compound carboxamide group beta amino acid or derivatives oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound organooxygen compound

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