DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:10 UTC
Update Date	2025-03-21 18:06:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00064942
Frequency	47.3
Structure
Chemical Formula	C₁₈H₂₉N₃O₁₇P₂
Molecular Mass	621.0972
SMILES	COC1C(O)C(COP(=O)(O)OP(=O)(O)OC2OC(CO)C(O)C(O)C2NC(C)=O)OC1n1ccc(=O)[nH]c1=O
InChI Key	LRSMXALRUABKNE-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 acids and derivatives dialkyl ethers heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates 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 ether lactam aromatic heteromonocyclic compound pentose phosphate monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative dialkyl ether 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 pyrimidine ribonucleoside diphosphate phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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