DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:12 UTC
Update Date	2025-03-21 18:36:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00113247
Frequency	23.4
Structure
Chemical Formula	C₂₁H₂₉N₆O₁₂P₂S+
Molecular Mass	651.1034
SMILES	Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)c2C)c(N)n1
InChI Key	GMEWSQPIQZICGT-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols 4,5-disubstituted thiazoles azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidolactams lactams monoalkyl phosphates monosaccharides organic carbonic acids and derivatives organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines pyrimidones secondary alcohols tetrahydrofurans thiamine phosphates vinylogous amides
Substituents	lactam aromatic heteromonocyclic compound pentose phosphate monosaccharide pentose-5-phosphate pyrimidone pyrimidine saccharide organic oxide thiamine organonitrogen compound organopnictogen compound organic cation imidolactam organoheterocyclic compound thiamine-phosphate azole 1,2-diol alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate 4,5-disubstituted 1,3-thiazole oxacycle pyrimidine ribonucleoside diphosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound thiazole organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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