DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:15 UTC
Update Date	2025-03-25 00:51:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188204
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₇N₃O₂₃P₄
Molecular Mass	752.9986
SMILES	CC(=O)NC1OC(OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O
InChI Key	HSLPQGAGAZEBQW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols acetamides azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam aromatic heteromonocyclic compound pentose phosphate monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound oxane organoheterocyclic compound acetamide 1,2-diol alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide dialkyl phosphate pyrimidine ribonucleoside monophosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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