DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:36 UTC
Update Date	2025-03-25 00:57:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223577
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₀N₅O₁₂P
Molecular Mass	575.1629
SMILES	NC(=O)C1=CN(C2C(O)C(O)C(COP(=O)(O)OCC3OC(n4ccc(N)nc4=O)C(O)C3O)C2O)C=CC1
InChI Key	LLDUTUGQFMFEAU-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-aminoalcohols amino acids and derivatives aminocyclitols and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives cyclopentanols dialkyl phosphates dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides n-substituted nicotinamides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides pyrimidones tetrahydrofurans trialkylamines vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group aromatic heteromonocyclic compound amino acid or derivatives pentose phosphate nicotinamide monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound dihydropyridine imidolactam organoheterocyclic compound tertiary amine alcohol aminocyclitol or derivatives vinylogous amide carbonic acid derivative azacycle 1,2-aminoalcohol tetrahydrofuran heteroaromatic compound tertiary aliphatic amine cyclitol or derivatives cyclic alcohol carboxamide group cyclopentanol n-substituted nicotinamide oxacycle pyrimidine ribonucleoside monophosphate dialkyl phosphate organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound enamine

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