DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:15 UTC
Update Date	2025-03-25 00:57:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224975
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅N₄O₉P
Molecular Mass	390.0577
SMILES	Nc1nc2c(c(C(=O)O)cn2C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1
InChI Key	XLMWQOZIAWPXTJ-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 amino acids azacyclic compounds heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines pyrimidinecarboxylic acids pyrimidones pyrrole carboxylic acids pyrrolo[2,3-d]pyrimidines secondary alcohols substituted pyrroles tetrahydrofurans vinylogous amides
Substituents	lactam carboxylic acid pyrrole-3-carboxylic acid or derivatives pentose phosphate amino acid or derivatives amino acid monosaccharide pyrimidone substituted pyrrole carboxylic acid derivative pyrimidine pyrrolopyrimidine saccharide organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound organoheterocyclic compound alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound pyrimidine-5-carboxylic 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 pyrrole-3-carboxylic acid organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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