DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:13 UTC
Update Date	2025-03-21 18:04:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00050974
Frequency	64.2
Structure
Chemical Formula	C₁₂H₁₈N₃O₁₁P
Molecular Mass	411.0679
SMILES	NC(COP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)C(=O)O
InChI Key	VOJBLWFDDMCMPS-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 alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives lactams monoalkylamines monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound pentose phosphate monosaccharide pentose-5-phosphate pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine phosphoethanolamine saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound 1,2-diol alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound oxacycle dialkyl phosphate pyrimidine ribonucleoside monophosphate monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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