DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:38:56 UTC
Update Date	2025-03-25 01:31:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02429547
Frequency	0.5
Structure
Chemical Formula	C₂₇H₄₄N₇O₂₃P₅S
Molecular Mass	1021.0897
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(C)(O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	JQRWUOOSSXQASB-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	azacyclic compounds beta amino acids and derivatives carbonyl compounds carbothioic s-esters carboxylic acids and derivatives fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tertiary alcohols tetrahydrofurans thioesters thiolactones
Substituents	carbonyl group pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine carbothioic s-ester saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam fatty acyl thioester thiolactone organoheterocyclic compound azole n-substituted imidazole alcohol thiocarboxylic acid or derivatives sulfenyl compound azacycle tetrahydrofuran thiocarboxylic acid ester heteroaromatic compound carboxamide group beta amino acid or derivatives oxacycle secondary carboxylic acid amide tertiary alcohol organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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