DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:24 UTC
Update Date	2025-03-25 00:57:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223121
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₃N₅O₈
Molecular Mass	425.1547
SMILES	NC(CCCNC(=O)c1cc2c(=O)[nH]cnc2n1C1OC(CO)C(O)C1O)C(=O)O
InChI Key	GMRXYEWBFBIJGL-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	2-heteroaryl carboxamides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives lactams monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols pyrimidinecarboxylic acids pyrimidones pyrrole carboxamides pyrrolo[2,3-d]pyrimidines secondary alcohols secondary carboxylic acid amides substituted pyrroles tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid monosaccharide pyrimidone alpha-amino acid or derivatives substituted pyrrole carboxylic acid derivative 2-heteroaryl carboxamide pyrimidine pyrrolopyrimidine saccharide organic oxide pyrrolo[2,3-d]pyrimidine pyrrole-2-carboxylic acid or derivatives aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrole-2-carboxamide primary alcohol pyrimidine-6-carboxylic acid organoheterocyclic compound alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group pyrrolopyrimidine ribonucleoside oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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