DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:54:43 UTC
Update Date	2025-03-25 01:37:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02466534
Frequency	0.5
Structure
Chemical Formula	C₃₂H₅₀N₈O₁₆P₂S
Molecular Mass	896.2541
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COC(=O)C(N)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	AWVAVBXDBHDPBZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid esters alpha amino acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carbothioic s-esters carboxylic acid esters fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thioesters thiolactones
Substituents	amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine carbothioic s-ester saccharide purine ribonucleoside diphosphate organonitrogen compound alpha-amino acid organoheterocyclic compound alcohol sulfenyl compound alpha-amino acid ester azacycle thiocarboxylic acid ester heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide monoalkyl phosphate carboxylic acid ester hydrocarbon derivative primary aliphatic amine primary amine amine fatty acyl carbonyl group pentose phosphate fatty amide organosulfur compound carboxylic acid derivative pyrimidine phosphoethanolamine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam fatty acyl thioester thiolactone azole n-substituted imidazole thiocarboxylic acid or derivatives tetrahydrofuran carboxamide group n-acyl-amine beta amino acid or derivatives oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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