DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:34:49 UTC
Update Date	2025-03-24 22:08:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02002126
Frequency	0.6
Structure
Chemical Formula	C₃₀H₅₀N₇O₁₆P₃S
Molecular Mass	889.2248
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(O)C(O)C(C)(C)COP(=O)(=O)(O)OP(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O
InChI Key	YIOIBHNHDSMLNH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine 3'-deoxyribonucleosides
Direct Parent	purine 3'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds beta amino acids and derivatives carbonyl compounds carbothioic s-esters carboxylic acids and derivatives dialkylamines fatty acyl thioesters hemiaminals heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organic phosphites organic phosphonic acids and derivatives organic phosphoric acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thioesters thiolactones
Substituents	amino acid or derivatives imidazopyrimidine hemiaminal carbothioic s-ester organonitrogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound alcohol secondary aliphatic amine sulfenyl compound azacycle thiocarboxylic acid ester heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine carbonyl group organosulfur compound carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam fatty acyl thioester thiolactone alkanolamine azole n-substituted imidazole organic phosphite thiocarboxylic acid or derivatives tetrahydrofuran secondary amine carboxamide group beta amino acid or derivatives oxacycle purine 3'-deoxyribonucleoside organic oxygen compound secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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