DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:01 UTC
Update Date	2025-03-21 18:38:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00122407
Frequency	21.1
Structure
Chemical Formula	C₁₅H₂₀N₆O₇
Molecular Mass	396.1393
SMILES	NC(=O)CCC(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	WFMFCNGCUOSSMJ-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 acids amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary carboxylic acid amides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glutamine or derivatives amino acid or derivatives amino acid fatty amide 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 azole n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound secondary amine carboxamide group secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound organooxygen compound amine

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