DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:56 UTC
Update Date	2025-03-21 18:03:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00043170
Frequency	78.9
Structure
Chemical Formula	C₁₉H₂₉N₃O₁₈P₂
Molecular Mass	649.0921
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1OC(C)=O
InChI Key	JXDUCGQJIGQHTI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	monosaccharides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides azacyclic compounds carbonyl compounds carboxylic acid esters heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monocarboxylic acids and derivatives n-acyl-alpha-hexosamines organic carbonic acids and derivatives organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols pyrimidine ribonucleoside diphosphates 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 n-acyl-alpha-hexosamine organic oxide organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group organic pyrophosphate oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyrimidine ribonucleoside diphosphate phosphoric acid ester monoalkyl phosphate carboxylic acid ester secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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