DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:50:39 UTC
Update Date	2025-03-24 21:22:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01755709
Frequency	0.7
Structure
Chemical Formula	C₂₆H₃₇N₁₀O₁₈P₃
Molecular Mass	870.15
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4ccc(NCCCC(N)C(=O)O)nc43)C(O)C2O)C(O)C1O
InChI Key	CHJOSGVRPGQMRG-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-halopyridines alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidazopyridines imidolactams monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates polyhalopyridines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine imidazopyridine saccharide organonitrogen compound alpha-amino acid purine ribonucleoside triphosphate organoheterocyclic compound alcohol azacycle heteroaromatic compound secondary aliphatic/aromatic amine pyridine monoalkyl phosphate hydrocarbon derivative primary aliphatic amine primary amine amine carbonyl group pentose phosphate amino acid polyhalopyridine carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound 2-halopyridine imidolactam azole n-substituted imidazole tetrahydrofuran hydroxypyridine secondary amine oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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