DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:40 UTC
Update Date	2025-03-25 00:54:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209706
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₄N₄O₁₄P₂
Molecular Mass	534.0764
SMILES	CC(O)(COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O)C(N)C(=O)O
InChI Key	LTAGHQRUPBOKNM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates pyrimidones secondary alcohols tertiary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives amino acid monosaccharide pentose-5-phosphate pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle tertiary alcohol monocarboxylic acid or derivatives pyrimidine ribonucleoside diphosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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