DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:28 UTC
Update Date	2025-03-21 18:28:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00070468
Frequency	42.7
Structure
Chemical Formula	C₁₀H₁₄N₃O₉P
Molecular Mass	351.0468
SMILES	Nc1nc(=O)n(C2CC(O)C(COP(=O)(O)O)O2)cc1C(=O)O
InChI Key	WEUNVGZSKGOUOC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine deoxyribonucleotides
Direct Parent	pyrimidine 2'-deoxyribonucleoside monophosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines pyrimidinecarboxylic acids pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carboxylic acid aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives amino acid monosaccharide pyrimidone carboxylic acid derivative pyrimidine pyrimidine 2'-deoxyribonucleoside monophosphate saccharide organic oxide organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives pyrimidine-5-carboxylic acid oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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