DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:52:18 UTC
Update Date	2025-03-21 18:03:24 UTC
HMDB ID	HMDB0006880
Metabolite Identification
DeepMet ID	DMID00044077
Name	Acetyl adenylate
Frequency	76.9
Structure
Chemical Formula	C₁₂H₁₆N₅O₈P
Molecular Mass	389.0736
SMILES	CC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	UBPVOHPZRZIJHM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	5'-acylphosphoadenosines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols acetate salts acyl phosphates amino acids and derivatives azacyclic compounds carbonyl compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic salts organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group pentose phosphate amino acid or derivatives acetate salt monosaccharide pentose-5-phosphate imidazopyrimidine 5'-acylphosphoadenosine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organic salt imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle monocarboxylic acid or derivatives 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 acyl phosphate

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