DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:34:30 UTC
Update Date	2025-03-24 22:07:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02001335
Frequency	0.6
Structure
Chemical Formula	C₂₇H₃₆N₁₀O₂₁P₂
Molecular Mass	898.1532
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)c3N)C(O)C2O)C(O)C1O
InChI Key	FOCVLYFPWDGCMC-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	1-ribosyl-imidazolecarboxamides 2-heteroaryl carboxamides alpha amino acid amides alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dipeptides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-acyl amines n-acyl-alpha amino acids n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans tricarboxylic acids and derivatives vinylogous amides
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine 2-heteroaryl carboxamide alpha peptide saccharide purine ribonucleoside diphosphate organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound n-substituted-alpha-amino acid organic pyrophosphate alpha-dipeptide secondary carboxylic acid amide monoalkyl phosphate aspartic acid or derivatives hydrocarbon derivative primary amine amine fatty acyl carbonyl group imidazole ribonucleoside pentose phosphate amino acid fatty amide tricarboxylic acid or derivatives carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidazole-4-carbonyl group imidolactam azole n-substituted imidazole tetrahydrofuran carboxamide group n-acyl-amine 1-ribosyl-imidazolecarboxamide 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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