DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:11 UTC
Update Date	2025-03-25 00:49:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02174302
Frequency	0.5
Structure
Chemical Formula	C₂₄H₄₂N₆O₁₂P₂
Molecular Mass	668.2336
SMILES	CCCCCCCCCC=CC(O)C(N)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O
InChI Key	ZWVGFYJXWJDGFG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monoalkylamines monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines purine ribonucleoside monophosphates purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine phosphoethanolamine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine primary aliphatic amine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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