DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:13 UTC
Update Date	2025-03-21 18:38:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00120502
Frequency	21.6
Structure
Chemical Formula	C₂₀H₂₁N₇O₅
Molecular Mass	439.1604
SMILES	Nc1ncnc2c1ncn2C1OC(c2[nH]c3ccccc3c2CC(N)C(=O)O)C(O)C1O
InChI Key	BMOFYXTURCEULT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	5'-deoxyribonucleosides
Direct Parent	5'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols alpha amino acids amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams indoles monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives pyrroles secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid indole 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 imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol 5'-deoxyribonucleoside azacycle tetrahydrofuran heteroaromatic compound indole or derivatives oxacycle monocarboxylic acid or derivatives organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine primary amine purine organic nitrogen compound amine organooxygen compound

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