DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:58 UTC
Update Date	2025-03-21 18:03:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00045683
Frequency	73.6
Structure
Chemical Formula	C₁₄H₁₈N₆O₇
Molecular Mass	382.1237
SMILES	NC(CC(=O)O)C(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	JIYVWDYXNXKGKV-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 aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkylamines monocarboxylic acids and derivatives 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
Substituents	fatty acyl carbonyl group carboxylic acid 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 organoheterocyclic compound azole n-substituted imidazole alcohol alpha-amino acid amide azacycle tetrahydrofuran purine nucleoside heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound aspartic acid or derivatives secondary alcohol hydrocarbon derivative primary aliphatic amine purine organic nitrogen compound organooxygen compound

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