DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:16:35 UTC
Update Date	2025-03-25 01:47:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02517740
Frequency	0.5
Structure
Chemical Formula	C₃₃H₅₂N₇O₁₆P₃S
Molecular Mass	927.2404
SMILES	CCCC=CC=CC=CC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O
InChI Key	NBXBOFAZVKJLSH-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	acryloyl compounds azacyclic compounds beta amino acids and derivatives carboxylic acids and derivatives dialkylthioethers enones heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams ketones 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
Substituents	amino acid or derivatives monosaccharide pentose-5-phosphate imidazopyrimidine alpha,beta-unsaturated ketone ketone saccharide organonitrogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound alcohol sulfenyl compound azacycle dialkylthioether heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate organic pyrophosphate secondary carboxylic acid amide thioether monoalkyl phosphate hydrocarbon derivative acryloyl-group primary amine amine fatty acyl carbonyl group pentose phosphate fatty amide organosulfur compound carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole enone 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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