DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:24:15 UTC
Update Date	2025-03-25 01:25:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02395081
Frequency	0.5
Structure
Chemical Formula	C₃₁H₄₀N₁₁O₁₅P₂S+
Molecular Mass	900.1896
SMILES	Cc1ncc(C[n+]2csc(CCOP(=O)(OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)c2C)c(N)n1
InChI Key	DMAQAADMXMQKOY-UHFFFAOYSA-O
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	4,5-disubstituted thiazoles azacyclic compounds dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidine ribonucleoside diphosphates pyrimidones secondary alcohols tetrahydrofurans thiamine phosphates vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole thiamine organonitrogen compound organopnictogen compound organic cation imidolactam organoheterocyclic compound thiamine-phosphate azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate 4,5-disubstituted 1,3-thiazole oxacycle dialkyl phosphate pyrimidine ribonucleoside diphosphate 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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