DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:06 UTC
Update Date	2025-03-21 18:05:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00060052
Frequency	52.2
Structure
Chemical Formula	C₁₅H₂₁N₂O₁₅P
Molecular Mass	500.068
SMILES	O=C(O)C1OC(OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C(O)C1O
InChI Key	DFKPYXJDWRGORG-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	azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl phosphates glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives lactams monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates pyran carboxylic acids pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound pentose phosphate monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyran carboxylic acid pyrimidine beta-hydroxy acid saccharide organic oxide organonitrogen compound organopnictogen compound oxane organoheterocyclic compound alcohol vinylogous amide carbonic acid derivative pyran carboxylic acid or derivatives azacycle tetrahydrofuran heteroaromatic compound hydroxy acid oxacycle dialkyl phosphate pyrimidine ribonucleoside monophosphate monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester pyran secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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