DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:22:50 UTC
Update Date	2025-03-25 01:49:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02531804
Frequency	0.5
Structure
Chemical Formula	C₃₀H₅₄N₅O₂₆P₅
Molecular Mass	1055.1745
SMILES	CCCCCCCCCCCC(O)CC(=O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1OP(=O)(O)O
InChI Key	PJYGKBPGBDXPCC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters dialkyl phosphates fatty acid esters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams inositol phosphates monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	fatty acyl carbonyl group pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine inositol phosphate carboxylic acid derivative pyrimidine beta-hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound cyclitol or derivatives hydroxy acid oxacycle fatty acid ester dialkyl phosphate monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate carboxylic acid ester secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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