DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:30 UTC
Update Date	2025-03-21 18:06:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00061012
Frequency	51.2
Structure
Chemical Formula	C₁₆H₂₂N₆O₇
Molecular Mass	410.155
SMILES	CC(O)C(NC(N)=O)C(=O)Nc1ncnc2c1ccn2C1OC(CO)C(O)C1O
InChI Key	PBMUDVLPKZQBCG-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 acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides n-arylamides n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary alcohols pyrimidines and pyrimidine derivatives pyrrolo[2,3-d]pyrimidines secondary alcohols secondary carboxylic acid amides substituted pyrroles tetrahydrofurans
Substituents	fatty acyl carbonyl group fatty amide monosaccharide n-arylamide substituted pyrrole alpha-amino acid or derivatives carboxylic acid derivative pyrimidine pyrrolopyrimidine saccharide organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound alcohol carbonic acid derivative alpha-amino acid amide azacycle tetrahydrofuran n-carbamoyl-alpha-amino acid heteroaromatic compound carboxamide group pyrrolopyrimidine ribonucleoside n-substituted-alpha-amino acid oxacycle secondary carboxylic acid amide organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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