DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:03 UTC
Update Date	2025-03-21 18:37:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00117759
Frequency	22.2
Structure
Chemical Formula	C₁₀H₁₅N₄O₈P
Molecular Mass	350.0628
SMILES	NC(=O)c1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)nc1N
InChI Key	FSOVXKRDAFLHRM-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 and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides pyrimidinecarboxylic acids and derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives 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 carboxamide group oxacycle 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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