DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:46:53 UTC
Update Date	2025-03-25 00:27:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02030916
Frequency	0.6
Structure
Chemical Formula	C₃₂H₅₁N₈O₁₉P₃
Molecular Mass	944.2483
SMILES	CCCCCCCCCCCC(O)CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(n2cnc3c(N)ncnc32)C1O
InChI Key	QLMSDOIBJZOWAO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-acyl amines n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	fatty acyl carbonyl group pyrimidine ribonucleoside triphosphate lactam pentose phosphate amino acid or derivatives fatty amide monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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