DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:36 UTC
Update Date	2025-03-21 18:02:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00039929
Frequency	86.8
Structure
Chemical Formula	C₁₉H₂₁N₅O₆
Molecular Mass	415.1492
SMILES	O=C(O)C(Cc1ccccc1)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	PBHOCJATKAAKRP-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 amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds phenylalanine and derivatives phenylpropanoic acids primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-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 amphetamine or derivatives azole n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid purine organic nitrogen compound organooxygen compound amine

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