DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:54:52 UTC
Update Date	2025-03-21 18:04:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00050203
Frequency	65.5
Structure
Chemical Formula	C₁₇H₂₆N₃O₁₄P
Molecular Mass	527.1152
SMILES	CC(=O)NC1C(O)OC(COP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C1O
InChI Key	MSERZPWQRIYRTP-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 acylaminosugars azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl phosphates hemiacetals heteroaromatic compounds hexose phosphates hydrocarbon derivatives lactams monosaccharides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates pyrimidine ribonucleoside monophosphates 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 hemiacetal oxane organoheterocyclic compound acetamide alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group acylaminosugar oxacycle secondary carboxylic acid amide dialkyl phosphate pyrimidine ribonucleoside monophosphate phosphoric acid ester secondary alcohol hexose phosphate hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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