DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:13:19 UTC
Update Date	2025-03-25 01:45:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02510106
Frequency	0.5
Structure
Chemical Formula	C₂₅H₄₁N₈O₁₉P₃S
Molecular Mass	882.1422
SMILES	CC(O)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O)C(C(=O)O)C(=O)NCCC(=O)NCCSCC(N)C(=O)O
InChI Key	MBUDRKOVFWHLIL-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	1,3-dicarbonyl compounds alpha amino acids amino acids azacyclic compounds beta amino acids and derivatives carboxylic acids cysteine and derivatives dialkylthioethers dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines n-acyl amines n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organic pyrophosphates organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tertiary alcohols tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives alpha-amino acid or derivatives imidazopyrimidine organonitrogen compound alpha-amino acid 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 cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine primary amine 1,3-dicarbonyl compound amine fatty acyl carbonyl group pentose phosphate amino acid fatty amide organosulfur compound carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole 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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