DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:06 UTC
Update Date	2025-03-25 00:59:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238057
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₈N₄O₁₀
Molecular Mass	426.1023
SMILES	O=C(O)CC(Nc1ncnc2c1c(C(=O)O)cn2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	OPHCLTBFFXOZSD-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	1-carboxy-2-haloaromatic compounds alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols pyrimidinecarboxylic acids pyrimidines and pyrimidine derivatives pyrrole carboxylic acids pyrrolo[2,3-d]pyrimidines secondary alcohols secondary alkylarylamines substituted pyrroles tetrahydrofurans tricarboxylic acids and derivatives vinylogous amides
Substituents	carbonyl group carboxylic acid pyrrole-3-carboxylic acid or derivatives amino acid or derivatives amino acid monosaccharide tricarboxylic acid or derivatives 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 1-carboxy-2-haloaromatic compound primary alcohol imidolactam organoheterocyclic compound alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound pyrimidine-5-carboxylic acid secondary amine pyrrolopyrimidine ribonucleoside secondary aliphatic/aromatic amine oxacycle organic oxygen compound pyrrole aspartic acid or derivatives secondary alcohol hydrocarbon derivative organic nitrogen compound pyrrole-3-carboxylic acid organooxygen compound amine

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