DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:32:25 UTC
Update Date	2025-03-24 22:07:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01996257
Frequency	0.6
Structure
Chemical Formula	C₂₈H₄₄N₇O₁₉P₃S
Molecular Mass	907.1626
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O
InChI Key	ZQQOXLIPDDFKAT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
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 hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-acyl amines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidones secondary alcohols secondary carboxylic acid amides sulfenyl compounds tertiary alcohols tetrahydrofurans thioesters thiolactones vinylogous amides
Substituents	lactam amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carbothioic s-ester saccharide organonitrogen compound purine ribonucleoside triphosphate organoheterocyclic compound alcohol vinylogous amide sulfenyl compound azacycle thiocarboxylic acid ester heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hypoxanthine hydrocarbon derivative primary amine amine fatty acyl carbonyl group pentose phosphate fatty amide pyrimidone organosulfur compound carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound fatty acyl thioester thiolactone azole n-substituted imidazole thiocarboxylic acid or derivatives tetrahydrofuran carboxamide group n-acyl-amine beta amino acid or derivatives oxacycle tertiary alcohol organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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