DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:40:36 UTC
Update Date	2025-03-21 17:58:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00016676
Frequency	255.7
Structure
Chemical Formula	C₂₀H₃₁N₃O₁₈P₂
Molecular Mass	663.1078
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)CC2O)OC(CO)C(O)C1OC(C)C(=O)O
InChI Key	WQWNLHDUTOKBAE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides azacyclic compounds carbonyl compounds carboxylic acids dialkyl ethers heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols pyrimidones secondary alcohols secondary carboxylic acid amides sugar acids and derivatives tetrahydrofurans vinylogous amides
Substituents	carbonyl group ether lactam carboxylic acid aromatic heteromonocyclic compound pentose phosphate monosaccharide pyrimidone carboxylic acid derivative dialkyl ether pyrimidine n-acyl-alpha-hexosamine muramic_acid 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 phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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