DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:57:48 UTC
Update Date	2025-03-24 20:58:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01628263
Frequency	0.8
Structure
Chemical Formula	C₂₅H₃₉N₇O₃₂P₆
Molecular Mass	1135.0065
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC2C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C2OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C1O
InChI Key	BDWRJIOTTAOBRC-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	azacyclic compounds dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams inositol phosphates lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidine ribonucleoside monophosphates pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine inositol phosphate pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound cyclitol or derivatives oxacycle dialkyl phosphate pyrimidine ribonucleoside monophosphate 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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