DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:36 UTC
Update Date	2025-03-25 01:02:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253038
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₀N₆O₆
Molecular Mass	380.1444
SMILES	O=C(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C1CC(O)CN1
InChI Key	NEFBXCVCVMGQTO-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 dialkylamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols proline and derivatives purines and purine derivatives pyrimidines and pyrimidine derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group amino acid or derivatives 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 pyrrolidine primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole proline or derivatives alcohol secondary aliphatic amine alpha-amino acid amide azacycle tetrahydrofuran purine nucleoside heteroaromatic compound secondary amine carboxamide group oxacycle secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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