DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:39 UTC
Update Date	2025-03-25 00:54:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207292
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₉N₄O₁₁P
Molecular Mass	450.0788
SMILES	Nc1nc2c(c(CC(O)C(=O)O)cn2C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1
InChI Key	UPUVUNVONKZQQQ-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 hydroxy acids and derivatives amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines pyrimidones pyrrolo[2,3-d]pyrimidines secondary alcohols substituted pyrroles tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid pentose phosphate amino acid or derivatives amino acid alpha-hydroxy acid monosaccharide pentose-5-phosphate pyrimidone substituted pyrrole carboxylic acid derivative pyrimidine pyrrolopyrimidine saccharide organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound organoheterocyclic compound alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxy acid pyrrolopyrimidine ribonucleoside oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate pyrrole secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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