DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:18:32 UTC
Update Date	2025-03-25 01:00:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02243657
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₅N₇O₇
Molecular Mass	439.1815
SMILES	CC(=O)NC(CCCNc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	IVIHYGATXGOXST-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	acetamides alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide 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 acetamide azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid tetrahydrofuran purine nucleoside heteroaromatic compound secondary amine carboxamide group secondary aliphatic/aromatic amine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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