DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:25 UTC
Update Date	2025-03-21 18:31:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00084733
Frequency	33.8
Structure
Chemical Formula	C₁₁H₁₇N₄O₁₀P
Molecular Mass	396.0682
SMILES	CC(=O)Nc1c(N)n(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]c1=O
InChI Key	DFWVFBJORBOESE-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 acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides n-acetylarylamines organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam n-acetylarylamine aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate pyrimidone n-arylamide carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound organoheterocyclic compound acetamide 1,2-diol alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide pyrimidine ribonucleoside monophosphate 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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