DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:32:40 UTC
Update Date	2025-03-24 21:13:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01712449
Frequency	0.7
Structure
Chemical Formula	C₂₄H₃₄N₉O₂₁P₃
Molecular Mass	877.1082
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2C(O)C(O)C(n3cnc(C(=O)NC(CC(=O)O)C(=O)O)c3N)C2O)C(O)C1O
InChI Key	CXKDJGRHIRGDIR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids cyclitols and derivatives cyclopentanols dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary carboxylic acid amides tetrahydrofurans 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 saccharide organonitrogen compound alpha-amino acid purine ribonucleoside triphosphate organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound cyclitol or derivatives secondary carboxylic acid amide monoalkyl phosphate aspartic acid or derivatives 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 imidazole-4-carbonyl group imidolactam azole n-substituted imidazole tetrahydrofuran cyclic alcohol carboxamide group cyclopentanol 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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