DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:51:28 UTC
Update Date	2025-03-25 01:12:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02319357
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₇Cl₂N₈O₁₆P₃S₂
Molecular Mass	896.0359
SMILES	NC(CCCNc1nc(NCCSSCCC(N)C(=O)O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(O)C3O)c2n1)C(=O)O
InChI Key	WYDHLIDFIUDFCS-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 alkyl chlorides alpha amino acids amino acids azacyclic compounds bisphosphonates carbonyl compounds carboxylic acids dialkyldisulfides dicarboxylic acids and derivatives fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams monoalkyl phosphates monoalkylamines monosaccharides n-substituted imidazoles organic oxides organochlorides organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans thia fatty acids
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate alkyl chloride organochloride monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine saccharide organonitrogen compound alpha-amino acid organophosphorus compound hydroxy fatty acid organophosphonic acid derivative organoheterocyclic compound 1,2-diol alcohol sulfenyl compound azacycle heteroaromatic compound secondary aliphatic/aromatic amine monoalkyl phosphate organic disulfide dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine amine fatty acyl carbonyl group pentose phosphate amino acid organosulfur compound carboxylic acid derivative organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide imidolactam azole n-substituted imidazole bisphosphonate tetrahydrofuran secondary amine oxacycle dialkyldisulfide thia fatty acid organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID02319357