DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:07 UTC
Update Date	2025-03-25 00:48:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169568
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₀N₃O₁₉P₃
Molecular Mass	685.0686
SMILES	CC(=O)NC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)CC2O)OC(CO)C(O)C1O
InChI Key	CKNOZQLGPZNDAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine deoxyribonucleotides
Direct Parent	pyrimidine 2'-deoxyribonucleoside triphosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl ethers heteroaromatic compounds hexose phosphates hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group ether lactam aromatic heteromonocyclic compound pentose phosphate monosaccharide pyrimidone carboxylic acid derivative dialkyl ether pyrimidine pyrimidine 2'-deoxyribonucleoside triphosphate saccharide organic oxide organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hexose phosphate hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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