DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:54:58 UTC
Update Date	2025-03-21 18:04:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00050432
Frequency	65.1
Structure
Chemical Formula	C₁₅H₁₈N₄O₈
Molecular Mass	382.1125
SMILES	O=C(O)CC(Nc1ncnc2c1ccn2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	ANYKPKJUHSJNOF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrrolopyrimidine nucleosides and nucleotides
Subclass	pyrrolopyrimidine nucleosides and nucleotides
Direct Parent	pyrrolopyrimidine nucleosides and nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols pyrimidines and pyrimidine derivatives pyrrolo[2,3-d]pyrimidines secondary alcohols secondary alkylarylamines substituted pyrroles tetrahydrofurans
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide alpha-amino acid or derivatives substituted pyrrole carboxylic acid derivative pyrimidine pyrrolopyrimidine saccharide organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound alcohol azacycle tetrahydrofuran heteroaromatic compound secondary amine pyrrolopyrimidine ribonucleoside secondary aliphatic/aromatic amine oxacycle organic oxygen compound pyrrole aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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