DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:24 UTC
Update Date	2025-03-21 18:39:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00127993
Frequency	19.9
Structure
Chemical Formula	C₁₀H₁₅N₄O₉P
Molecular Mass	366.0577
SMILES	NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)c1N
InChI Key	AULUZEXXDRWJNN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols 2-heteroaryl carboxamides amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides 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 lactam aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative 2-heteroaryl carboxamide pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound organoheterocyclic compound 1,2-diol alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle pyrimidine ribonucleoside monophosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound pyrimidine-6-carboxylic acid or derivatives organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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