DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:58:37 UTC
Update Date	2025-03-24 20:33:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01486241
Frequency	0.9
Structure
Chemical Formula	C₂₅H₃₅N₈O₂₁P₃
Molecular Mass	876.113
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(C(=O)NC(CCC(=O)O)C(=O)O)c3N)C(O)C2O)C(O)C1OP(=O)(O)O
InChI Key	IGCDQIHRVSQOGO-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	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside 2',5'-bisphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives pyrrole carboxamides secondary alcohols secondary carboxylic acid amides substituted pyrroles tetrahydrofurans vinylogous amides
Substituents	carboxylic acid pyrrole-3-carboxylic acid or derivatives amino acid or derivatives monosaccharide pentose-5-phosphate alpha-amino acid or derivatives substituted pyrrole imidazopyrimidine saccharide purine ribonucleoside diphosphate purine ribonucleoside 2',5'-bisphosphate organonitrogen compound pyrrole-3-carboxamide alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound glutamic acid or derivatives organic pyrophosphate secondary carboxylic acid amide monoalkyl phosphate pyrrole dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine carbonyl group pentose phosphate amino acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran carboxamide group oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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