DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:01 UTC
Update Date	2025-03-21 18:37:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00117687
Frequency	22.3
Structure
Chemical Formula	C₁₆H₂₄N₆O₆
Molecular Mass	396.1757
SMILES	CC(O)C(C(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)N(C)C
InChI Key	UAHBNQVIQQMZDS-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	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans trialkylamines
Substituents	fatty acyl carbonyl group amino acid or derivatives fatty amide monosaccharide n-arylamide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam tertiary amine organoheterocyclic compound azole n-substituted imidazole alcohol alpha-amino acid amide azacycle tetrahydrofuran purine nucleoside heteroaromatic compound tertiary aliphatic amine carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound amine organooxygen compound

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