DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 07:13:51 UTC
Update Date	2025-03-24 19:57:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01090809
Frequency	1.3
Structure
Chemical Formula	C₃₂H₄₂N₁₄O₁₆P₃S+
Molecular Mass	1003.1831
SMILES	Cc1ncc(C[n+]2csc(CCOP(=O)(OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2C)c(N)n1
InChI Key	XKEMUNNWKFCQIF-UHFFFAOYSA-O
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	4,5-disubstituted thiazoles azacyclic compounds dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic cations organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives secondary alcohols tetrahydrofurans thiamine phosphates
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole thiamine organonitrogen compound organopnictogen compound organic cation imidolactam purine ribonucleoside triphosphate organoheterocyclic compound thiamine-phosphate azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound 4,5-disubstituted 1,3-thiazole oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound thiazole organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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