DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:32 UTC
Update Date	2025-03-21 18:03:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00042197
Frequency	81.1
Structure
Chemical Formula	C₁₆H₂₃N₇O₈
Molecular Mass	441.1608
SMILES	CC(O)C(O)C(NC(N)=O)C(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	OKIDELTZVJKAQD-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-carbamoyl-alpha amino acids 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 alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol carbonic acid derivative alpha-amino acid amide azacycle tetrahydrofuran purine nucleoside n-carbamoyl-alpha-amino acid heteroaromatic compound carboxamide group n-substituted-alpha-amino acid oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound organooxygen compound

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