DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:05 UTC
Update Date	2025-03-25 00:47:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02162616
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₆N₃O₁₃P
Molecular Mass	465.0421
SMILES	O=C(O)CC(NC(=O)c1cn(C2OC(CO)C3OP(=O)(O)OC32)c(=O)[nH]c1=O)C(=O)O
InChI Key	NKPMVZANCHEHGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	cyclic pyrimidine nucleotides
Direct Parent	2',3'-cyclic pyrimidine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives lactams n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organic phosphoric acids and derivatives organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols pyrimidinecarboxylic acids and derivatives pyrimidones ribonucleoside 3'-phosphates secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives ribonucleoside 3'-phosphate alcohol vinylogous amide carbonic acid derivative azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane pyrimidine-5-carboxylic acid or derivatives carboxamide group 2',3'-cyclic pyrimidine ribonucleotide oxacycle secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative organooxygen compound

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