DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:13 UTC
Update Date	2025-03-21 18:29:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00079525
Frequency	36.7
Structure
Chemical Formula	C₁₇H₂₉N₃O₁₇P₂
Molecular Mass	609.0972
SMILES	CC(=O)NC1C(O[PH](O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1O
InChI Key	OKGIWGWSSJNQQD-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 and derivatives heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides n-acyl-alpha-hexosamine-1-phosphates organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols 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 oxane primary alcohol organoheterocyclic compound acetamide alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound n-acyl-alpha-hexosamine-1-phosphate carboxamide group oxacycle secondary carboxylic acid amide pyrimidine ribonucleoside monophosphate phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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