DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:01 UTC
Update Date	2025-03-21 18:03:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00043384
Frequency	78.4
Structure
Chemical Formula	C₂₀H₃₂N₄O₁₇P₂
Molecular Mass	662.1238
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(N)nc3=O)CC2O)OC(CO)C(O)C1OC(C)C(=O)O
InChI Key	YDMUBCUYROCLCO-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 amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl ethers heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines pyrimidones secondary alcohols secondary carboxylic acid amides sugar acids and derivatives tetrahydrofurans
Substituents	carbonyl group ether carboxylic acid aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives amino acid monosaccharide pyrimidone carboxylic acid derivative dialkyl ether pyrimidine n-acyl-alpha-hexosamine muramic_acid organic oxide organonitrogen compound organopnictogen compound oxane primary alcohol imidolactam organoheterocyclic compound acetamide alcohol 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 primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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