DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:41:51 UTC
Update Date	2025-03-24 20:51:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01590546
Frequency	0.8
Structure
Chemical Formula	C₃₀H₄₉N₈O₁₆P₃S
Molecular Mass	902.22
SMILES	CN(C)Cc1ccc(CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2CP(=O)(O)O)o1
InChI Key	QACQSOCMJRGDMW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 3'-deoxyribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	aralkylamines azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids and derivatives dialkylthioethers furans heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-acyl amines n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organic pyrophosphates organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans trialkylamines
Substituents	amino acid or derivatives monosaccharide pentose-5-phosphate imidazopyrimidine saccharide organonitrogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound alcohol sulfenyl compound azacycle dialkylthioether heteroaromatic compound tertiary aliphatic amine purine 3'-deoxyribonucleoside diphosphate organic pyrophosphate secondary carboxylic acid amide thioether monoalkyl phosphate hydrocarbon derivative primary amine amine fatty acyl furan carbonyl group pentose phosphate fatty amide organosulfur compound carboxylic acid derivative aralkylamine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam tertiary amine azole n-substituted imidazole tetrahydrofuran carboxamide group n-acyl-amine beta amino acid or derivatives oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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