DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:45 UTC
Update Date	2025-03-21 18:05:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00056832
Frequency	56.0
Structure
Chemical Formula	C₁₀H₁₄N₃O₁₁P
Molecular Mass	383.0366
SMILES	Nc1c(C(=O)O)c(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	NOHLIJJIIUUQKY-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 amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives lactams 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	lactam carboxylic acid aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives amino acid monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound organoheterocyclic compound 1,2-diol alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives pyrimidine-5-carboxylic acid oxacycle pyrimidine ribonucleoside monophosphate 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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