DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:55 UTC
Update Date	2025-03-25 00:47:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164543
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₃O₁₁P
Molecular Mass	411.0679
SMILES	CC(Nc1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O)C(=O)O
InChI Key	HROJIFSFZJVWRZ-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 alanine and derivatives alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates pyrimidones secondary alcohols secondary alkylarylamines tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives amino acid monosaccharide pentose-5-phosphate pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine 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 secondary amine secondary aliphatic/aromatic amine oxacycle pyrimidine ribonucleoside monophosphate monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol alanine or derivatives hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound amine

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