DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:43 UTC
Update Date	2025-03-21 18:30:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00083114
Frequency	34.7
Structure
Chemical Formula	C₁₁H₁₆N₂O₁₃P₂
Molecular Mass	446.0128
SMILES	CC(=O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O
InChI Key	LPZFLLOIIUKEDS-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	1,2-diols acetate salts acyl phosphates azacyclic compounds carbonyl compounds heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organic pyrophosphates organic salts organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam aromatic heteromonocyclic compound pentose phosphate acetate salt monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound organic salt organoheterocyclic compound 1,2-diol alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle monocarboxylic acid or derivatives 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 acyl phosphate

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