DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:56 UTC
Update Date	2025-03-21 18:05:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00059644
Frequency	52.7
Structure
Chemical Formula	C₁₇H₂₉N₃O₁₈P₂
Molecular Mass	625.0921
SMILES	CC(=O)NC1C(OP(=O)(O)O[PH](=O)(O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1O
InChI Key	LHTUGNQLBMWSIF-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	acetamides azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides n-acyl-alpha-hexosamines organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols pyrimidine ribonucleoside monophosphates pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam aromatic heteromonocyclic compound pentose phosphate monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine n-acyl-alpha-hexosamine saccharide organic oxide organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide pyrimidine ribonucleoside monophosphate pyrimidine ribonucleoside diphosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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