DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:42:09 UTC
Update Date	2025-03-21 17:59:18 UTC
HMDB ID	HMDB0001003
Metabolite Identification
DeepMet ID	DMID00020113
Name	Adenosine phosphosulfate
Frequency	202.1
Structure
Chemical Formula	C₁₀H₁₄N₅O₁₀PS
Molecular Mass	427.0199
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(O)C1O
InChI Key	IRLPACMLTUPBCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic sulfuric acids and derivatives organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol organic sulfuric acid or derivatives azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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